2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide

C20H24N4O2S — CID 91642582

IUPAC2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)s1
InChIInChI=1S/C20H24N4O2S/c21-19(25)16-8-9-17(27-16)20(26)22-18-14(23-10-1-2-11-23)6-5-7-15(18)24-12-3-4-13-24/h5-9H,1-4,10-13H2,(H2,21,25)(H,22,26)
InChIKeyGCPGSOWFYVPJQL-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.30
Rot. Bonds5

About 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide

2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide (PubChem CID 91642582) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide
PubChem CID91642582
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)s1
InChIInChI=1S/C20H24N4O2S/c21-19(25)16-8-9-17(27-16)20(26)22-18-14(23-10-1-2-11-23)6-5-7-15(18)24-12-3-4-13-24/h5-9H,1-4,10-13H2,(H2,21,25)(H,22,26)
InChIKeyGCPGSOWFYVPJQL-UHFFFAOYSA-N
XLogP3.30
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025
N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 99086144
5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 41269492
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 41270353
4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
CID 119872678
2-methyl-3-pyrrolidin-1-ylbenzamide
CID 154257026
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563
ethyl N-(2-hydroxy-6-pyrrolidin-1-ylphenyl)carbamate
CID 13123931
4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 37172802
(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 129377300
N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
CID 86938278

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide (CID 91642582) is 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)s1.
What is the InChIKey of 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide?
The InChIKey is GCPGSOWFYVPJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c21-19(25)16-8-9-17(27-16)20(26)22-18-14(23-10-1-2-11-23)6-5-7-15(18)24-12-3-4-13-24/h5-9H,1-4,10-13H2,(H2,21,25)(H,22,26).
What are the key properties of 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide?
2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 91642582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).