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

HCID 13655155
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)CCNC(=O)N(C(C)C)C(C)CS(=O)(=O)c1ccccc1.O
InChIKey
ODCFWIDMLREYJD-UHFFFAOYSA-N
Molecular formula
C19H35N3O4S
Average molar mass
401.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL10688487ODCFWIDMLREYJD-UHFFFAOYSA-NN'-[2-(Diethylamino)ethyl]-N-(1-methylethyl)-N-[1-methyl-2-(phenylsulfonyl)ethyl]urea hydrate

Database identifiers

PubChem CID
13655155

Properties

Computed structural properties

Topological polar surface area
79.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

Loading…