N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C14H13ClN2O2S — CID 46756505

IUPACN-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O2S/c1-9(16-14(19)12-7-4-8-20-12)13(18)17-11-6-3-2-5-10(11)15/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyRGIZYQFBJGVMKP-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.16
Rot. Bonds4

About N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46756505) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46756505
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O2S/c1-9(16-14(19)12-7-4-8-20-12)13(18)17-11-6-3-2-5-10(11)15/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyRGIZYQFBJGVMKP-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229
N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide
CID 51101073
N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682677
N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55489098
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 27965444
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
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-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46756505) is N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is RGIZYQFBJGVMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-9(16-14(19)12-7-4-8-20-12)13(18)17-11-6-3-2-5-10(11)15/h2-9H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46756505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).