1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid

C15H19NO3S — CID 43351099

IUPAC1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCSCc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C15H19NO3S/c1-20-10-11-4-6-12(7-5-11)13(17)16-15(14(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyJBYHLRFGODNWJS-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.68
Rot. Bonds5

About 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid

1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43351099) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43351099
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCSCc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C15H19NO3S/c1-20-10-11-4-6-12(7-5-11)13(17)16-15(14(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyJBYHLRFGODNWJS-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351071
1-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432933
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24705520
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291254
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 43351099) is 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is CSCc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JBYHLRFGODNWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-20-10-11-4-6-12(7-5-11)13(17)16-15(14(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).