N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C20H24N2O3S — CID 131948856

IUPACN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCC(C)C3)cc1C
InChIInChI=1S/C20H24N2O3S/c1-12-4-7-17-14(8-12)10-18(26-17)20(24)21-15-5-6-16(13(2)9-15)22-19(23)11-25-3/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySWDYTLMOLVEDID-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.02
Rot. Bonds5

About N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 131948856) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID131948856
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCC(C)C3)cc1C
InChIInChI=1S/C20H24N2O3S/c1-12-4-7-17-14(8-12)10-18(26-17)20(24)21-15-5-6-16(13(2)9-15)22-19(23)11-25-3/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySWDYTLMOLVEDID-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

(5S)-N-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7946283
(5R)-N-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7914040
[2-(4-tert-butylanilino)-2-oxoethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7402443
(5R)-5-methyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7962036
[2-(4-methoxycarbonylanilino)-2-oxoethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7402544
N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24685843
(5R)-5-methyl-N-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9071939
(5R)-N-(2-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7750888
[2-(3-methoxyanilino)-2-oxoethyl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7792308
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43068303
[2-(3-acetylanilino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 16515803
N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46515162

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 131948856) is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COCC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCC(C)C3)cc1C.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is SWDYTLMOLVEDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12-4-7-17-14(8-12)10-18(26-17)20(24)21-15-5-6-16(13(2)9-15)22-19(23)11-25-3/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 131948856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).