3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide

C18H22N2O3S — CID 122159202

IUPAC3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C
InChIInChI=1S/C18H22N2O3S/c1-11(2)10-19-17(21)13-5-6-14(12(3)9-13)20-18(22)16-15(23-4)7-8-24-16/h5-9,11H,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyQHWAOEOEXIWFHC-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.70
Rot. Bonds6

About 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide

3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 122159202) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID122159202
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C
InChIInChI=1S/C18H22N2O3S/c1-11(2)10-19-17(21)13-5-6-14(12(3)9-13)20-18(22)16-15(23-4)7-8-24-16/h5-9,11H,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyQHWAOEOEXIWFHC-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119760388
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 49340132
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
4-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119760392
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 122150470
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119310067
N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
methyl 2-hydroxy-3-[(3-methoxythiophene-2-carbonyl)amino]propanoate
CID 113344178

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 122159202) is 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is COc1ccsc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C.
What is the InChIKey of 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is QHWAOEOEXIWFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11(2)10-19-17(21)13-5-6-14(12(3)9-13)20-18(22)16-15(23-4)7-8-24-16/h5-9,11H,10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 122159202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).