3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide

C18H22N2O3S2 — CID 24818160

IUPAC3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCCSc1ccccc1
InChIInChI=1S/C18H22N2O3S2/c21-18(19-13-7-15-24-16-8-3-1-4-9-16)12-14-20-25(22,23)17-10-5-2-6-11-17/h1-6,8-11,20H,7,12-15H2,(H,19,21)
InChIKeyBCMWVXJHTSRPNM-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.65
Rot. Bonds10

About 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide

3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide (PubChem CID 24818160) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
PubChem CID24818160
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCCSc1ccccc1
InChIInChI=1S/C18H22N2O3S2/c21-18(19-13-7-15-24-16-8-3-1-4-9-16)12-14-20-25(22,23)17-10-5-2-6-11-17/h1-6,8-11,20H,7,12-15H2,(H,19,21)
InChIKeyBCMWVXJHTSRPNM-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.65
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)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26635601
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide
CID 46584501
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072425
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 38570641
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide (CID 24818160) is 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide is O=C(CCNS(=O)(=O)c1ccccc1)NCCCSc1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide?
The InChIKey is BCMWVXJHTSRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c21-18(19-13-7-15-24-16-8-3-1-4-9-16)12-14-20-25(22,23)17-10-5-2-6-11-17/h1-6,8-11,20H,7,12-15H2,(H,19,21).
What are the key properties of 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide?
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide is sourced from PubChem (CID 24818160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).