(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide

C23H23N5O4S — CID 51924839

IUPAC(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H23N5O4S/c1-14-21(15(2)32-27-14)33(30,31)28-13-5-8-20(28)23(29)24-17-11-9-16(10-12-17)22-25-18-6-3-4-7-19(18)26-22/h3-4,6-7,9-12,20H,5,8,13H2,1-2H3,(H,24,29)(H,25,26)/t20-/m1/s1
InChIKeyFMLPKNKHUSOHEA-HXUWFJFHSA-N
MW465.54 g/mol
LogP3.63
Rot. Bonds5

About (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide

(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide (PubChem CID 51924839) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
PubChem CID51924839
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC Name(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H23N5O4S/c1-14-21(15(2)32-27-14)33(30,31)28-13-5-8-20(28)23(29)24-17-11-9-16(10-12-17)22-25-18-6-3-4-7-19(18)26-22/h3-4,6-7,9-12,20H,5,8,13H2,1-2H3,(H,24,29)(H,25,26)/t20-/m1/s1
InChIKeyFMLPKNKHUSOHEA-HXUWFJFHSA-N
XLogP3.63
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093436
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 4749468
methyl 4-[[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carbonyl]amino]benzoate
CID 41024765
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 22109281
(2S)-N-(3-acetylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 16566397
(2S)-N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 16566400
(2S)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40839279
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25334740
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 17414736
(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 40797674
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethylphenyl)pyrrolidine-2-carboxamide
CID 17415195
propyl 4-[[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carbonyl]amino]benzoate
CID 18230480

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide (CID 51924839) is (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is FMLPKNKHUSOHEA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-14-21(15(2)32-27-14)33(30,31)28-13-5-8-20(28)23(29)24-17-11-9-16(10-12-17)22-25-18-6-3-4-7-19(18)26-22/h3-4,6-7,9-12,20H,5,8,13H2,1-2H3,(H,24,29)(H,25,26)/t20-/m1/s1.
What are the key properties of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51924839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).