4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide

C18H22N2O3S — CID 4950022

IUPAC4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C18H22N2O3S/c1-5-14(23-13-8-6-10(2)7-9-13)17(22)20-18-15(16(19)21)11(3)12(4)24-18/h6-9,14H,5H2,1-4H3,(H2,19,21)(H,20,22)
InChIKeyDNHMBZJZYALYHY-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.57
Rot. Bonds6

About 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide

4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide (PubChem CID 4950022) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide
PubChem CID4950022
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C18H22N2O3S/c1-5-14(23-13-8-6-10(2)7-9-13)17(22)20-18-15(16(19)21)11(3)12(4)24-18/h6-9,14H,5H2,1-4H3,(H2,19,21)(H,20,22)
InChIKeyDNHMBZJZYALYHY-UHFFFAOYSA-N
XLogP3.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 17034262
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
CID 4951886
2-[2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxybutanoylamino]-4,5-dimethylthiophene-3-carboxamide
CID 46303351
4,5-dimethyl-2-[2-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
CID 2971404
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
2-(4-methylphenoxy)butanamide
CID 4980758
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
2-[[(2R)-2-phenoxybutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1219318
4,5-dimethyl-2-[1-(4-methylphenyl)ethenylamino]thiophene-3-carboxamide
CID 143196350
2-(4-methylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 4949931
2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 4195204

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide (CID 4950022) is 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide?
The InChIKey is DNHMBZJZYALYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-5-14(23-13-8-6-10(2)7-9-13)17(22)20-18-15(16(19)21)11(3)12(4)24-18/h6-9,14H,5H2,1-4H3,(H2,19,21)(H,20,22).
What are the key properties of 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide?
4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[2-(4-methylphenoxy)butanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 4950022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).