N'-[2-(Diethylamino)ethyl]-N-(1-methylethyl)-N-[5-(phenylsulfonyl)pentyl]urea hydrate

HCID 20152837
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Basic information

Standard SMILES
CCN(CC)CCNC(=O)N(CCCCCS(=O)(=O)c1ccccc1)C(C)C.O
InChIKey
CHNZXCQSYMUEMN-UHFFFAOYSA-N
Molecular formula
C21H39N3O4S
Average molar mass
429.6 g/mol

Names & identifiers

Preferred name
N'-[2-(Diethylamino)ethyl]-N-(1-methylethyl)-N-[5-(phenylsulfonyl)pentyl]urea hydrate
IUPAC
1-[5-(benzenesulfonyl)pentyl]-3-[2-(diethylamino)ethyl]-1-propan-2-ylurea;hydrate

Names & synonyms

SCHEMBL10689736CHNZXCQSYMUEMN-UHFFFAOYSA-NN'-[2-(Diethylamino)ethyl]-N-(1-methylethyl)-N-[5-(phenylsulfonyl)pentyl]urea hydrate

Database identifiers

PubChem CID
20152837

Properties

Computed structural properties

Topological polar surface area
79.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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N'-[2-(Diethylamino)ethyl]-N-(1-methylethyl)-N-[5-(phenylsulfonyl)pentyl]urea hydrate (HCID 20152837)｜Huagongshe