N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide

C14H14N2O2S — CID 42929942

IUPACN-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2O2S/c1-10(15-14(18)12-8-5-9-19-12)13(17)16-11-6-3-2-4-7-11/h2-10H,1H3,(H,15,18)(H,16,17)
InChIKeyBUPJWDJDYZVVPJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.51
Rot. Bonds4

About N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide

N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide (PubChem CID 42929942) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
PubChem CID42929942
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2O2S/c1-10(15-14(18)12-8-5-9-19-12)13(17)16-11-6-3-2-4-7-11/h2-10H,1H3,(H,15,18)(H,16,17)
InChIKeyBUPJWDJDYZVVPJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756505
N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682677
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839

Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide (CID 42929942) is N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide?
The InChIKey is BUPJWDJDYZVVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10(15-14(18)12-8-5-9-19-12)13(17)16-11-6-3-2-4-7-11/h2-10H,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide?
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 42929942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).