N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide

C19H18N2O3S — CID 24673618

IUPACN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C19H18N2O3S/c1-12-7-8-15(24-2)14(9-12)21-18(22)11-20-19(23)17-10-13-5-3-4-6-16(13)25-17/h3-10H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCXYQXRVGVXAFAO-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 24673618) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID24673618
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C19H18N2O3S/c1-12-7-8-15(24-2)14(9-12)21-18(22)11-20-19(23)17-10-13-5-3-4-6-16(13)25-17/h3-10H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCXYQXRVGVXAFAO-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 46551108
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
3-chloro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9215516
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone
CID 61406778
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
CID 37344228

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 24673618) is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide is COc1ccc(C)cc1NC(=O)CNC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is CXYQXRVGVXAFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-7-8-15(24-2)14(9-12)21-18(22)11-20-19(23)17-10-13-5-3-4-6-16(13)25-17/h3-10H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24673618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).