N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide

C16H14N2OS — CID 4919616

IUPACN-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(-n2cccc2)cc1)c1cccs1
InChIInChI=1S/C16H14N2OS/c19-16(15-4-3-11-20-15)17-12-13-5-7-14(8-6-13)18-9-1-2-10-18/h1-11H,12H2,(H,17,19)
InChIKeyFXCBQHBBNWJRQW-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.47
Rot. Bonds4

About N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide

N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 4919616) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide
PubChem CID4919616
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(-n2cccc2)cc1)c1cccs1
InChIInChI=1S/C16H14N2OS/c19-16(15-4-3-11-20-15)17-12-13-5-7-14(8-6-13)18-9-1-2-10-18/h1-11H,12H2,(H,17,19)
InChIKeyFXCBQHBBNWJRQW-UHFFFAOYSA-N
XLogP3.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylthiophene-2-carboxamide
CID 574227
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 47045169
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 134035332
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
4-[4-[(thiophene-2-carbonylamino)methyl]phenoxy]butanoic acid
CID 119247435
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[(1-benzyl-4,5-dimethyl-2-pyrrol-1-ylpyrrol-3-yl)methyl]thiophene-2-carboxamide
CID 1484949

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide (CID 4919616) is N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccc(-n2cccc2)cc1)c1cccs1.
What is the InChIKey of N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is FXCBQHBBNWJRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-16(15-4-3-11-20-15)17-12-13-5-7-14(8-6-13)18-9-1-2-10-18/h1-11H,12H2,(H,17,19).
What are the key properties of N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide?
N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 4919616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).