N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide

C15H21ClN2O4S — CID 110609806

IUPACN-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
SMILESCC(=O)NCCCCNC(=O)CCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O4S/c1-12(19)17-8-2-3-9-18-15(20)7-10-23(21,22)14-6-4-5-13(16)11-14/h4-6,11H,2-3,7-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyZMUHZXRFCYPWRR-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.54
Rot. Bonds9

About N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide

N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide (PubChem CID 110609806) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
PubChem CID110609806
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC NameN-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
SMILESCC(=O)NCCCCNC(=O)CCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O4S/c1-12(19)17-8-2-3-9-18-15(20)7-10-23(21,22)14-6-4-5-13(16)11-14/h4-6,11H,2-3,7-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyZMUHZXRFCYPWRR-UHFFFAOYSA-N
XLogP1.54
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415612
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110620250
N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110624241
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 122176670
(3-chlorophenyl)sulfonylmethyl acetate
CID 151338896
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
CID 90483046

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide (CID 110609806) is N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide is CC(=O)NCCCCNC(=O)CCS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide?
The InChIKey is ZMUHZXRFCYPWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-12(19)17-8-2-3-9-18-15(20)7-10-23(21,22)14-6-4-5-13(16)11-14/h4-6,11H,2-3,7-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide?
N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide has a molecular weight of 360.86 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 110609806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).