4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide

C17H20ClN3O2S — CID 167943228

IUPAC4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide
SMILESCC(CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)CN1CCCC1=O
InChIInChI=1S/C17H20ClN3O2S/c1-11(10-21-6-2-3-16(21)22)7-20-17(23)13-9-19-8-12(13)14-4-5-15(18)24-14/h4-5,8-9,11,19H,2-3,6-7,10H2,1H3,(H,20,23)
InChIKeyMDJOOAYQBSUZEM-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.38
Rot. Bonds6

About 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide (PubChem CID 167943228) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide
PubChem CID167943228
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide
SMILESCC(CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)CN1CCCC1=O
InChIInChI=1S/C17H20ClN3O2S/c1-11(10-21-6-2-3-16(21)22)7-20-17(23)13-9-19-8-12(13)14-4-5-15(18)24-14/h4-5,8-9,11,19H,2-3,6-7,10H2,1H3,(H,20,23)
InChIKeyMDJOOAYQBSUZEM-UHFFFAOYSA-N
XLogP3.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 52771363
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CID 75405279
2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide
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4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide
CID 47360120
4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide
CID 95151810
3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 60535154
(3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94777050
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
3-(5-chlorothiophen-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 78886193
5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 47308839
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 112733895
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide (CID 167943228) is 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide is CC(CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)CN1CCCC1=O.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is MDJOOAYQBSUZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-11(10-21-6-2-3-16(21)22)7-20-17(23)13-9-19-8-12(13)14-4-5-15(18)24-14/h4-5,8-9,11,19H,2-3,6-7,10H2,1H3,(H,20,23).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 365.89 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 167943228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).