3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide

C23H27ClN2O4S — CID 60573334

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C23H27ClN2O4S/c1-17(27)18-5-4-6-21(15-18)31(29,30)26-14-11-22(28)25-16-23(12-2-3-13-23)19-7-9-20(24)10-8-19/h4-10,15,26H,2-3,11-14,16H2,1H3,(H,25,28)
InChIKeyZUKRVXLPIYLVSE-UHFFFAOYSA-N
MW463.00 g/mol
LogP3.84
Rot. Bonds9

About 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide (PubChem CID 60573334) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide
PubChem CID60573334
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C23H27ClN2O4S/c1-17(27)18-5-4-6-21(15-18)31(29,30)26-14-11-22(28)25-16-23(12-2-3-13-23)19-7-9-20(24)10-8-19/h4-10,15,26H,2-3,11-14,16H2,1H3,(H,25,28)
InChIKeyZUKRVXLPIYLVSE-UHFFFAOYSA-N
XLogP3.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
CID 60522060
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide
CID 71944756
3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
CID 46414513
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 46467072
3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide (CID 60573334) is 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide?
The InChIKey is ZUKRVXLPIYLVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4S/c1-17(27)18-5-4-6-21(15-18)31(29,30)26-14-11-22(28)25-16-23(12-2-3-13-23)19-7-9-20(24)10-8-19/h4-10,15,26H,2-3,11-14,16H2,1H3,(H,25,28).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide has a molecular weight of 463.00 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 60573334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).