N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide

C23H23N3OS — CID 1484949

IUPACN-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1c(CNC(=O)c2cccs2)c(-n2cccc2)n(Cc2ccccc2)c1C
InChIInChI=1S/C23H23N3OS/c1-17-18(2)26(16-19-9-4-3-5-10-19)23(25-12-6-7-13-25)20(17)15-24-22(27)21-11-8-14-28-21/h3-14H,15-16H2,1-2H3,(H,24,27)
InChIKeyYTEWGPBKHXRCQC-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.94
Rot. Bonds6

About N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide

N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 1484949) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID1484949
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC NameN-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1c(CNC(=O)c2cccs2)c(-n2cccc2)n(Cc2ccccc2)c1C
InChIInChI=1S/C23H23N3OS/c1-17-18(2)26(16-19-9-4-3-5-10-19)23(25-12-6-7-13-25)20(17)15-24-22(27)21-11-8-14-28-21/h3-14H,15-16H2,1-2H3,(H,24,27)
InChIKeyYTEWGPBKHXRCQC-UHFFFAOYSA-N
XLogP4.94
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-benzylthiophene-2-carboxamide
CID 574227
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)thiophene-2-carboxamide
CID 4552301
N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide
CID 4919616
N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 8943704
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
CID 53022323
N-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 18532508
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide
CID 53164145
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 4299532
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35739105

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide (CID 1484949) is N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide is Cc1c(CNC(=O)c2cccs2)c(-n2cccc2)n(Cc2ccccc2)c1C.
What is the InChIKey of N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YTEWGPBKHXRCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-17-18(2)26(16-19-9-4-3-5-10-19)23(25-12-6-7-13-25)20(17)15-24-22(27)21-11-8-14-28-21/h3-14H,15-16H2,1-2H3,(H,24,27).
What are the key properties of N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide?
N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1484949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).