N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide

C21H25N3O2S — CID 48666286

IUPACN-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CSCc1cccnc1
InChIInChI=1S/C21H25N3O2S/c1-15-11-17(21(26)23-18-6-2-3-7-18)8-9-19(15)24-20(25)14-27-13-16-5-4-10-22-12-16/h4-5,8-12,18H,2-3,6-7,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyWCZAVCJAKWJDMD-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.93
Rot. Bonds7

About N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide

N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide (PubChem CID 48666286) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide
PubChem CID48666286
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CSCc1cccnc1
InChIInChI=1S/C21H25N3O2S/c1-15-11-17(21(26)23-18-6-2-3-7-18)8-9-19(15)24-20(25)14-27-13-16-5-4-10-22-12-16/h4-5,8-12,18H,2-3,6-7,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyWCZAVCJAKWJDMD-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
CID 51121339
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 55880187
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-cyclohexyl-3-methyl-4-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide
CID 55879039
methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
CID 51121340
methyl 4-chloro-3-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55669322
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55917998

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide (CID 48666286) is N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide is Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CSCc1cccnc1.
What is the InChIKey of N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide?
The InChIKey is WCZAVCJAKWJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15-11-17(21(26)23-18-6-2-3-7-18)8-9-19(15)24-20(25)14-27-13-16-5-4-10-22-12-16/h4-5,8-12,18H,2-3,6-7,13-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide?
N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide has a molecular weight of 383.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 48666286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).