N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide

C16H22N2O2S — CID 43077712

IUPACN-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
SMILESCSC(C)C(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O2S/c1-11(21-2)15(19)18-14-10-6-5-9-13(14)16(20)17-12-7-3-4-8-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUYJOFADVGATBII-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.05
Rot. Bonds5

About N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide

N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide (PubChem CID 43077712) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
PubChem CID43077712
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
SMILESCSC(C)C(=O)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O2S/c1-11(21-2)15(19)18-14-10-6-5-9-13(14)16(20)17-12-7-3-4-8-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUYJOFADVGATBII-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide
CID 7276350
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide?
The IUPAC name of N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide (CID 43077712) is N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide?
The canonical SMILES for N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide is CSC(C)C(=O)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide?
The InChIKey is UYJOFADVGATBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(21-2)15(19)18-14-10-6-5-9-13(14)16(20)17-12-7-3-4-8-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide?
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide has a molecular weight of 306.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide is sourced from PubChem (CID 43077712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).