(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C19H20N4O3S — CID 49169879

IUPAC(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)ccc21
InChIInChI=1S/C19H20N4O3S/c1-21-13-8-7-12(11-15(13)22(2)19(21)26)20-17(24)14-5-3-9-23(14)18(25)16-6-4-10-27-16/h4,6-8,10-11,14H,3,5,9H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyAPURMJMMEUIXBP-AWEZNQCLSA-N
MW384.46 g/mol
LogP2.18
Rot. Bonds3

About (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 49169879) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID49169879
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)ccc21
InChIInChI=1S/C19H20N4O3S/c1-21-13-8-7-12(11-15(13)22(2)19(21)26)20-17(24)14-5-3-9-23(14)18(25)16-6-4-10-27-16/h4,6-8,10-11,14H,3,5,9H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyAPURMJMMEUIXBP-AWEZNQCLSA-N
XLogP2.18
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
N-(2,3-dihydro-1H-inden-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42908057
N-(3-fluoro-4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51159772
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
N-(3,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406462
N-[3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 112767377
methyl 3-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 9323125
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24675292
(2S)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55939965
(2S)-N-(6-oxo-1-propyl-3-pyridinyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51960189
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786603
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 49169879) is (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is Cn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)ccc21.
What is the InChIKey of (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is APURMJMMEUIXBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-21-13-8-7-12(11-15(13)22(2)19(21)26)20-17(24)14-5-3-9-23(14)18(25)16-6-4-10-27-16/h4,6-8,10-11,14H,3,5,9H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 49169879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).