N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C17H16N2OS — CID 3235766

IUPACN-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C17H16N2OS/c1-13-4-6-14(7-5-13)12-18-17(20)16-15(8-11-21-16)19-9-2-3-10-19/h2-11H,12H2,1H3,(H,18,20)
InChIKeyRMKANCNWILVNFS-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.78
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 3235766) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID3235766
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C17H16N2OS/c1-13-4-6-14(7-5-13)12-18-17(20)16-15(8-11-21-16)19-9-2-3-10-19/h2-11H,12H2,1H3,(H,18,20)
InChIKeyRMKANCNWILVNFS-UHFFFAOYSA-N
XLogP3.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 822274
N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 668683
N-(4-methylphenyl)-2-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-1-hydrazinecarboxamide
CID 1481222
N-(3,5-dimethylphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide
CID 2742292
3-(1H-Pyrrol-1-yl)-2-thiophenecarboxylic acid 2-(4-fluorobenzoyl)hydrazide
CID 3811376
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 6292584
N-[4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 2102349
2-[4-(1H-pyrrol-1-yl)phenyl]-N-(thien-2-ylmethyl)acetamide
CID 3244464
1-[2-(pyrrolidin-1-ylcarbonyl)thien-3-yl]-1H-pyrrole
CID 3245590
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875100
N-(3,5-dimethylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 11725698
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 42606221

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 3235766) is N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide is Cc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is RMKANCNWILVNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-13-4-6-14(7-5-13)12-18-17(20)16-15(8-11-21-16)19-9-2-3-10-19/h2-11H,12H2,1H3,(H,18,20).
What are the key properties of N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 3235766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).