N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide

C27H24N4O3S — CID 60555253

IUPACN-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1
InChIInChI=1S/C27H24N4O3S/c32-25(29-18-22-11-4-5-14-28-22)20-10-6-12-21(17-20)30-26(33)23(16-19-8-2-1-3-9-19)31-27(34)24-13-7-15-35-24/h1-15,17,23H,16,18H2,(H,29,32)(H,30,33)(H,31,34)
InChIKeyHKJOERIUMDQXQU-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.05
Rot. Bonds9

About N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 60555253) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
PubChem CID60555253
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC NameN-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1
InChIInChI=1S/C27H24N4O3S/c32-25(29-18-22-11-4-5-14-28-22)20-10-6-12-21(17-20)30-26(33)23(16-19-8-2-1-3-9-19)31-27(34)24-13-7-15-35-24/h1-15,17,23H,16,18H2,(H,29,32)(H,30,33)(H,31,34)
InChIKeyHKJOERIUMDQXQU-UHFFFAOYSA-N
XLogP4.05
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 55965030
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CID 13177095
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]pentan-2-yl]carbamate
CID 55939943
3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044
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CID 17297031
N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
CID 4015400
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55334887
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42917748
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55970055

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide (CID 60555253) is N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide is O=C(NCc1ccccn1)c1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is HKJOERIUMDQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S/c32-25(29-18-22-11-4-5-14-28-22)20-10-6-12-21(17-20)30-26(33)23(16-19-8-2-1-3-9-19)31-27(34)24-13-7-15-35-24/h1-15,17,23H,16,18H2,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 4.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 60555253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).