4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide

C16H22N2O4S — CID 166387813

IUPAC4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)CC1CCCC1
InChIInChI=1S/C16H22N2O4S/c1-11(23(21,22)10-12-4-2-3-5-12)16(20)18-14-8-6-13(7-9-14)15(17)19/h6-9,11-12H,2-5,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyGOZJUPYHBHHJSS-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.72
Rot. Bonds6

About 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide

4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide (PubChem CID 166387813) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide
PubChem CID166387813
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)CC1CCCC1
InChIInChI=1S/C16H22N2O4S/c1-11(23(21,22)10-12-4-2-3-5-12)16(20)18-14-8-6-13(7-9-14)15(17)19/h6-9,11-12H,2-5,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyGOZJUPYHBHHJSS-UHFFFAOYSA-N
XLogP1.72
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-ethylphenyl)-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 95980806
4-[[(2R)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825696
4-[[(2S)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825695
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 40609067
2-(cyclopentylmethylsulfonyl)-1-(4-methoxyphenyl)propan-1-one
CID 64636607
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
4-[[(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]propanoyl]amino]benzamide
CID 11939553
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
4-[(3-amino-2-methylbutanoyl)amino]benzamide
CID 113416058
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate
CID 8538539
(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 124505456

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide?
The IUPAC name of 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide (CID 166387813) is 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide.
What is the SMILES notation for 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide?
The canonical SMILES for 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide is CC(C(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)CC1CCCC1.
What is the InChIKey of 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide?
The InChIKey is GOZJUPYHBHHJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(23(21,22)10-12-4-2-3-5-12)16(20)18-14-8-6-13(7-9-14)15(17)19/h6-9,11-12H,2-5,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide?
4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide has a molecular weight of 338.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylmethylsulfonyl)propanoylamino]benzamide is sourced from PubChem (CID 166387813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).