cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid

C20H21NO3S — CID 120678923

IUPACcis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(Sc2ccccc2)c1
InChIInChI=1S/C20H21NO3S/c1-13-7-10-17(18(11-13)25-16-5-3-2-4-6-16)19(22)21-15-9-8-14(12-15)20(23)24/h2-7,10-11,14-15H,8-9,12H2,1H3,(H,21,22)(H,23,24)/t14-,15+/m1/s1
InChIKeyNDSNJUNYKVPFRM-CABCVRRESA-N
MW355.46 g/mol
LogP4.13
Rot. Bonds5

About cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678923) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678923
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Namecis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(Sc2ccccc2)c1
InChIInChI=1S/C20H21NO3S/c1-13-7-10-17(18(11-13)25-16-5-3-2-4-6-16)19(22)21-15-9-8-14(12-15)20(23)24/h2-7,10-11,14-15H,8-9,12H2,1H3,(H,21,22)(H,23,24)/t14-,15+/m1/s1
InChIKeyNDSNJUNYKVPFRM-CABCVRRESA-N
XLogP4.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
N-(3-amino-3-oxopropyl)-4-methyl-2-phenylsulfanylbenzamide
CID 75503685
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677007
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114173210
cis-(1S,3R)-3-[(2,4-dichloro-5-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675398
4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230033
cis-(1S,3R)-3-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674947
N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride
CID 119478534
cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120678923) is cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(Sc2ccccc2)c1.
What is the InChIKey of cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is NDSNJUNYKVPFRM-CABCVRRESA-N. The full InChI is InChI=1S/C20H21NO3S/c1-13-7-10-17(18(11-13)25-16-5-3-2-4-6-16)19(22)21-15-9-8-14(12-15)20(23)24/h2-7,10-11,14-15H,8-9,12H2,1H3,(H,21,22)(H,23,24)/t14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 355.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).