2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

C19H20N2O3S — CID 22181596

IUPAC2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCSc1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)O)cc1
InChIInChI=1S/C19H20N2O3S/c1-25-17-7-3-2-5-15(17)13-8-10-14(11-9-13)20-18(22)16-6-4-12-21(16)19(23)24/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22)(H,23,24)
InChIKeyFVKBKTYPOBNNJS-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.16
Rot. Bonds4

About 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 22181596) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID22181596
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCSc1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)O)cc1
InChIInChI=1S/C19H20N2O3S/c1-25-17-7-3-2-5-15(17)13-8-10-14(11-9-13)20-18(22)16-6-4-12-21(16)19(23)24/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22)(H,23,24)
InChIKeyFVKBKTYPOBNNJS-UHFFFAOYSA-N
XLogP4.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-fluoro-4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 22181509
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2S)-2-[[4-[5-[4-[[(2S)-1-carboxypyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 70941882
1-[(2S)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[4-[[1-[(2S)-2-(dimethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 118691640
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470
(2S)-2-[[4-[2-[4-(cyclobutanecarbonylamino)phenyl]ethynyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 129159208
2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118691660
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 140698374

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 22181596) is 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid is CSc1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is FVKBKTYPOBNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-25-17-7-3-2-5-15(17)13-8-10-14(11-9-13)20-18(22)16-6-4-12-21(16)19(23)24/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 356.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22181596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).