2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide

C20H27N3O2S — CID 3564068

IUPAC2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C20H27N3O2S/c1-3-6-16-19(15-8-12-26-13-15)18(20(21)25)14(2)23(16)11-5-10-22-9-4-7-17(22)24/h8,12-13H,3-7,9-11H2,1-2H3,(H2,21,25)
InChIKeyPDUIAGZWGKJTSU-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.59
Rot. Bonds8

About 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide

2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide (PubChem CID 3564068) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
PubChem CID3564068
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C20H27N3O2S/c1-3-6-16-19(15-8-12-26-13-15)18(20(21)25)14(2)23(16)11-5-10-22-9-4-7-17(22)24/h8,12-13H,3-7,9-11H2,1-2H3,(H2,21,25)
InChIKeyPDUIAGZWGKJTSU-UHFFFAOYSA-N
XLogP3.59
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 3789443
4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 5012624
5-butyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3483517
2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3436273
5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
CID 4985747
4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3816605
2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 4992163
4-(2-methoxyphenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 4236636
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 3828892
4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide
CID 4997079
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide (CID 3564068) is 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide is CCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCCN1CCCC1=O.
What is the InChIKey of 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The InChIKey is PDUIAGZWGKJTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-6-16-19(15-8-12-26-13-15)18(20(21)25)14(2)23(16)11-5-10-22-9-4-7-17(22)24/h8,12-13H,3-7,9-11H2,1-2H3,(H2,21,25).
What are the key properties of 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide?
2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3564068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).