N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H18N2O2S — CID 51299044

IUPACN-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCCc1cccc(NC(=O)C(C)NC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O2S/c1-3-12-6-4-7-13(10-12)18-15(19)11(2)17-16(20)14-8-5-9-21-14/h4-11H,3H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGCHMPLHDXUFWLM-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 51299044) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID51299044
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCCc1cccc(NC(=O)C(C)NC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O2S/c1-3-12-6-4-7-13(10-12)18-15(19)11(2)17-16(20)14-8-5-9-21-14/h4-11H,3H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGCHMPLHDXUFWLM-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.07
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
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
[2-(3-ethylanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46818777
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[1-(4-ethyl-3-nitroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86925253
N-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 50875750
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 8630914
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133131
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 51299044) is N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is CCc1cccc(NC(=O)C(C)NC(=O)c2cccs2)c1.
What is the InChIKey of N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is GCHMPLHDXUFWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-12-6-4-7-13(10-12)18-15(19)11(2)17-16(20)14-8-5-9-21-14/h4-11H,3H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51299044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).