4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide

C22H25N3O3S — CID 69112222

IUPAC4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)NC1CCCC1c1ccc(NC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H25N3O3S/c1-15(2)29(27,28)25-21-5-3-4-20(21)17-10-12-19(13-11-17)24-22(26)18-8-6-16(14-23)7-9-18/h6-13,15,20-21,25H,3-5H2,1-2H3,(H,24,26)
InChIKeyOEKLAHZJFUTIPA-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.77
Rot. Bonds6

About 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide

4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide (PubChem CID 69112222) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
PubChem CID69112222
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)NC1CCCC1c1ccc(NC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H25N3O3S/c1-15(2)29(27,28)25-21-5-3-4-20(21)17-10-12-19(13-11-17)24-22(26)18-8-6-16(14-23)7-9-18/h6-13,15,20-21,25H,3-5H2,1-2H3,(H,24,26)
InChIKeyOEKLAHZJFUTIPA-UHFFFAOYSA-N
XLogP3.77
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide
CID 69112646
4-isocyano-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103258
3,5-difluoro-N-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 10159252
3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103276
2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103243
N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide
CID 163613729
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
N-[(3R,4R)-3-[4-(4-cyanophenyl)phenyl]piperidin-4-yl]propane-2-sulfonamide
CID 131739520
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-[(3S,4R)-3-[4-(4-cyanophenyl)phenyl]oxan-4-yl]propane-2-sulfonamide
CID 58350014
[4-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]phenyl] hydrogen carbonate
CID 69112761

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide (CID 69112222) is 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide is CC(C)S(=O)(=O)NC1CCCC1c1ccc(NC(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
The InChIKey is OEKLAHZJFUTIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-15(2)29(27,28)25-21-5-3-4-20(21)17-10-12-19(13-11-17)24-22(26)18-8-6-16(14-23)7-9-18/h6-13,15,20-21,25H,3-5H2,1-2H3,(H,24,26).
What are the key properties of 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide?
4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide has a molecular weight of 411.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide is sourced from PubChem (CID 69112222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).