N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide

C19H18N2O3S — CID 17397125

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C19H18N2O3S/c1-21(12-18(22)20-14-7-5-8-15(11-14)24-2)19(23)17-10-13-6-3-4-9-16(13)25-17/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyUMRXIWDJARWNSP-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 17397125) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID17397125
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C19H18N2O3S/c1-21(12-18(22)20-14-7-5-8-15(11-14)24-2)19(23)17-10-13-6-3-4-9-16(13)25-17/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyUMRXIWDJARWNSP-UHFFFAOYSA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate
CID 34651074
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 38660045
3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide
CID 55792504
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
CID 24818015
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9161982
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27787175
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide (CID 17397125) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2cc3ccccc3s2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is UMRXIWDJARWNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-21(12-18(22)20-14-7-5-8-15(11-14)24-2)19(23)17-10-13-6-3-4-9-16(13)25-17/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17397125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).