(2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide

C26H26N2O2S — CID 51354096

IUPAC(2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCSc1ccccc1CN1CCC[C@H]1C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H26N2O2S/c1-31-24-16-8-5-12-20(24)18-28-17-9-15-23(28)26(30)27-22-14-7-6-13-21(22)25(29)19-10-3-2-4-11-19/h2-8,10-14,16,23H,9,15,17-18H2,1H3,(H,27,30)/t23-/m0/s1
InChIKeyFZDPKKREJNRVHQ-QHCPKHFHSA-N
MW430.57 g/mol
LogP5.24
Rot. Bonds7

About (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 51354096) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID51354096
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name(2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCSc1ccccc1CN1CCC[C@H]1C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H26N2O2S/c1-31-24-16-8-5-12-20(24)18-28-17-9-15-23(28)26(30)27-22-14-7-6-13-21(22)25(29)19-10-3-2-4-11-19/h2-8,10-14,16,23H,9,15,17-18H2,1H3,(H,27,30)/t23-/m0/s1
InChIKeyFZDPKKREJNRVHQ-QHCPKHFHSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide 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-[[(2S)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]acetic acid
CID 51354383
N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 138108901
(2R)-2-[[[2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-3-(2-methylphenyl)propanoic acid
CID 101111237
1-benzyl-N-[2-(N-ethyl-C-phenylcarbonimidoyl)phenyl]pyrrolidine-2-carboxamide
CID 89270517
N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 614237
(2S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;2-[[[2-[[[(2S)-1-benzylpyrrolidin-2-yl]-oxidomethylidene]amino]phenyl]-phenylmethylidene]amino]acetate;nickel(2+)
CID 164979649
(2S)-N-(2-benzoyl-4-nitrophenyl)-1-benzylpyrrolidine-2-carboxamide
CID 11091271
2-[[[2-[[[(2S)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-oxidomethylidene]amino]phenyl]-phenylmethylidene]amino]acetate;nickel(2+)
CID 51354382
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
(2R)-3-azido-2-[[[2-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]propanoic acid
CID 58427268
N-(2-benzoylphenyl)cyclopropanecarboxamide
CID 607537
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide (CID 51354096) is (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide is CSc1ccccc1CN1CCC[C@H]1C(=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is FZDPKKREJNRVHQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-31-24-16-8-5-12-20(24)18-28-17-9-15-23(28)26(30)27-22-14-7-6-13-21(22)25(29)19-10-3-2-4-11-19/h2-8,10-14,16,23H,9,15,17-18H2,1H3,(H,27,30)/t23-/m0/s1.
What are the key properties of (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51354096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).