N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C20H17N3O3S — CID 24653858

IUPACN-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C(NC(=O)c2cccs2)c2ccccc2)c1
InChIInChI=1S/C20H17N3O3S/c21-18(24)14-8-4-9-15(12-14)22-20(26)17(13-6-2-1-3-7-13)23-19(25)16-10-5-11-27-16/h1-12,17H,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyMYEUZRTWDRWDRO-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 24653858) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID24653858
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C(NC(=O)c2cccs2)c2ccccc2)c1
InChIInChI=1S/C20H17N3O3S/c21-18(24)14-8-4-9-15(12-14)22-20(26)17(13-6-2-1-3-7-13)23-19(25)16-10-5-11-27-16/h1-12,17H,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyMYEUZRTWDRWDRO-UHFFFAOYSA-N
XLogP2.96
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653835
N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 32954528
N-[3-[2-(4-carbamoylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906394
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium
CID 8938021
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 94829119
N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 42944393

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 24653858) is N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide is NC(=O)c1cccc(NC(=O)C(NC(=O)c2cccs2)c2ccccc2)c1.
What is the InChIKey of N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is MYEUZRTWDRWDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c21-18(24)14-8-4-9-15(12-14)22-20(26)17(13-6-2-1-3-7-13)23-19(25)16-10-5-11-27-16/h1-12,17H,(H2,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24653858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).