1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide

C16H21N3O3S — CID 51246758

IUPAC1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1
InChIInChI=1S/C16H21N3O3S/c1-12(2)19-23(21,22)14-7-5-13(6-8-14)18-15(20)16(11-17)9-3-4-10-16/h5-8,12,19H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyPMQREZUUPVNLDV-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.40
Rot. Bonds5

About 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide

1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 51246758) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
PubChem CID51246758
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1
InChIInChI=1S/C16H21N3O3S/c1-12(2)19-23(21,22)14-7-5-13(6-8-14)18-15(20)16(11-17)9-3-4-10-16/h5-8,12,19H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyPMQREZUUPVNLDV-UHFFFAOYSA-N
XLogP2.40
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
CID 31812989
1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685728
1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
CID 78995000
4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
CID 60581823
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 31816749
1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 31836255
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119685718

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide (CID 51246758) is 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1.
What is the InChIKey of 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is PMQREZUUPVNLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12(2)19-23(21,22)14-7-5-13(6-8-14)18-15(20)16(11-17)9-3-4-10-16/h5-8,12,19H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51246758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).