N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H18N2O2S — CID 46756495

IUPACN-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)c2cccs2)cc1C
InChIInChI=1S/C16H18N2O2S/c1-10-6-7-13(9-11(10)2)18-15(19)12(3)17-16(20)14-5-4-8-21-14/h4-9,12H,1-3H3,(H,17,20)(H,18,19)
InChIKeyILCQBZPLIXWURM-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.12
Rot. Bonds4

About N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46756495) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46756495
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)NC(=O)c2cccs2)cc1C
InChIInChI=1S/C16H18N2O2S/c1-10-6-7-13(9-11(10)2)18-15(19)12(3)17-16(20)14-5-4-8-21-14/h4-9,12H,1-3H3,(H,17,20)(H,18,19)
InChIKeyILCQBZPLIXWURM-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94797229
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
N-[1-(3-bromo-4-methylanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55555316
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-[1-(4-ethyl-3-nitroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86925253
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
N-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 50875750
N-[(1S)-2,2,2-trichloro-1-(3,4-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 1159829
N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756520

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46756495) is N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1ccc(NC(=O)C(C)NC(=O)c2cccs2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ILCQBZPLIXWURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-6-7-13(9-11(10)2)18-15(19)12(3)17-16(20)14-5-4-8-21-14/h4-9,12H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46756495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).