N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide

C20H20N4O2S — CID 45245345

IUPACN-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CCCN2C(=O)c2ccsc2)cc1
InChIInChI=1S/C20H20N4O2S/c1-14-21-9-11-23(14)17-6-4-16(5-7-17)22-19(25)18-3-2-10-24(18)20(26)15-8-12-27-13-15/h4-9,11-13,18H,2-3,10H2,1H3,(H,22,25)
InChIKeyRYXBGXWVELBNMP-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.49
Rot. Bonds4

About N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide

N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 45245345) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID45245345
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CCCN2C(=O)c2ccsc2)cc1
InChIInChI=1S/C20H20N4O2S/c1-14-21-9-11-23(14)17-6-4-16(5-7-17)22-19(25)18-3-2-10-24(18)20(26)15-8-12-27-13-15/h4-9,11-13,18H,2-3,10H2,1H3,(H,22,25)
InChIKeyRYXBGXWVELBNMP-UHFFFAOYSA-N
XLogP3.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 45230803
(2S)-1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768765
1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980480
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
CID 42566316
(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 42456646
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571
(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 131915667
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45234559
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 134026773
(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 92895030
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide (CID 45245345) is N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2CCCN2C(=O)c2ccsc2)cc1.
What is the InChIKey of N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RYXBGXWVELBNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-14-21-9-11-23(14)17-6-4-16(5-7-17)22-19(25)18-3-2-10-24(18)20(26)15-8-12-27-13-15/h4-9,11-13,18H,2-3,10H2,1H3,(H,22,25).
What are the key properties of N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide?
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45245345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).