3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride

C16H27ClN2O3S — CID 90483046

IUPAC3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)CCS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-3-18(4-2)13-8-12-17-16(19)11-14-22(20,21)15-9-6-5-7-10-15;/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,17,19);1H
InChIKeyRRBDHHVYYKLLJZ-UHFFFAOYSA-N
MW362.92 g/mol
LogP2.12
Rot. Bonds10

About 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride

3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride (PubChem CID 90483046) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
PubChem CID90483046
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC Name3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)CCS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-3-18(4-2)13-8-12-17-16(19)11-14-22(20,21)15-9-6-5-7-10-15;/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,17,19);1H
InChIKeyRRBDHHVYYKLLJZ-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740
1-[2-(benzenesulfonyl)ethyl]-1,3-bis[2-(diethylamino)ethyl]urea
CID 14855265
3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide
CID 91780050
3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60740141
N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110609806
3-(benzenesulfonyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 91829405
N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
CID 9295458
N-[3-(diethylamino)propyl]-4-oxopentanamide
CID 60638247
1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea
CID 14855277

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride (CID 90483046) is 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride is CCN(CC)CCCNC(=O)CCS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride?
The InChIKey is RRBDHHVYYKLLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-3-18(4-2)13-8-12-17-16(19)11-14-22(20,21)15-9-6-5-7-10-15;/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,17,19);1H.
What are the key properties of 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride?
3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 90483046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).