4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide

C16H18N2OS — CID 143196350

IUPAC4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide
SMILESC=C(Nc1sc(C)c(C)c1C(N)=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2OS/c1-9-5-7-13(8-6-9)11(3)18-16-14(15(17)19)10(2)12(4)20-16/h5-8,18H,3H2,1-2,4H3,(H2,17,19)
InChIKeyDWNWGTGHHMWBIO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.86
Rot. Bonds4

About 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide

4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide (PubChem CID 143196350) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide
PubChem CID143196350
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide
SMILESC=C(Nc1sc(C)c(C)c1C(N)=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2OS/c1-9-5-7-13(8-6-9)11(3)18-16-14(15(17)19)10(2)12(4)20-16/h5-8,18H,3H2,1-2,4H3,(H2,17,19)
InChIKeyDWNWGTGHHMWBIO-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
CID 4951886
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide
CID 4950022
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108807071
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 969209
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
(E)-4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 922259
N-(2-hydroxyethyl)-4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 56695006
2-[(4-fluorophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 681202

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide (CID 143196350) is 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide is C=C(Nc1sc(C)c(C)c1C(N)=O)c1ccc(C)cc1.
What is the InChIKey of 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide?
The InChIKey is DWNWGTGHHMWBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-9-5-7-13(8-6-9)11(3)18-16-14(15(17)19)10(2)12(4)20-16/h5-8,18H,3H2,1-2,4H3,(H2,17,19).
What are the key properties of 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide?
4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide is sourced from PubChem (CID 143196350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).