2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide

C13H11ClN2O2S — CID 43470594

IUPAC2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C13H11ClN2O2S/c14-10(8-4-2-1-3-5-8)12(18)16-13-9(11(15)17)6-7-19-13/h1-7,10H,(H2,15,17)(H,16,18)
InChIKeyUKHJYGBONHQYIK-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.77
Rot. Bonds4

About 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide

2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide (PubChem CID 43470594) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
PubChem CID43470594
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C13H11ClN2O2S/c14-10(8-4-2-1-3-5-8)12(18)16-13-9(11(15)17)6-7-19-13/h1-7,10H,(H2,15,17)(H,16,18)
InChIKeyUKHJYGBONHQYIK-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057
2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
CID 7346644
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248820
benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium
CID 9445948
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 8730419
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(R)-(4-chlorophenyl)-phenylmethyl]azanium
CID 8891637
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
CID 61377118
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide (CID 43470594) is 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide?
The InChIKey is UKHJYGBONHQYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-10(8-4-2-1-3-5-8)12(18)16-13-9(11(15)17)6-7-19-13/h1-7,10H,(H2,15,17)(H,16,18).
What are the key properties of 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide?
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 43470594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).