2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide

C18H17N3O2S — CID 122147242

IUPAC2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C18H17N3O2S/c1-12-14(8-9-19-12)18(23)21-16-7-3-2-6-15(16)20-17(22)11-13-5-4-10-24-13/h2-10,19H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyRZYHAYWUCGIBHJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.82
Rot. Bonds5

About 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide

2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 122147242) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide
PubChem CID122147242
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C18H17N3O2S/c1-12-14(8-9-19-12)18(23)21-16-7-3-2-6-15(16)20-17(22)11-13-5-4-10-24-13/h2-10,19H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyRZYHAYWUCGIBHJ-UHFFFAOYSA-N
XLogP3.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
N-(4-methoxyphenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 2975011
1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide
CID 167846220
4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 7312069
N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 7299999
N-[4-methyl-2-[(2-thiophen-2-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3164945
N-(3-fluorophenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 38269111
N-(2-ethylsulfanylphenyl)-2-thiophen-2-ylacetamide
CID 94624110
ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-pyrrole-3-carboxylate
CID 82880240
N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide
CID 119320001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide (CID 122147242) is 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1.
What is the InChIKey of 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is RZYHAYWUCGIBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-14(8-9-19-12)18(23)21-16-7-3-2-6-15(16)20-17(22)11-13-5-4-10-24-13/h2-10,19H,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide?
2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 122147242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).