3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide

C19H18ClNO2S — CID 1358918

IUPAC3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc3cc(C)ccc3c2Cl)cc1
InChIInChI=1S/C19H18ClNO2S/c1-12-3-8-15-16(11-12)24-18(17(15)20)19(22)21-10-9-13-4-6-14(23-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,22)
InChIKeyNTHYMDXSBDPLIZ-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.84
Rot. Bonds5

About 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 1358918) has the molecular formula C19H18ClNO2S and a molecular weight of 359.88 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID1358918
Molecular FormulaC19H18ClNO2S
Molecular Weight359.88 g/mol
Exact Mass359.07
IUPAC Name3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc3cc(C)ccc3c2Cl)cc1
InChIInChI=1S/C19H18ClNO2S/c1-12-3-8-15-16(11-12)24-18(17(15)20)19(22)21-10-9-13-4-6-14(23-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,22)
InChIKeyNTHYMDXSBDPLIZ-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 334181
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 648597
3-[(3-Chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-cyclopentyloxyphenyl)propanoic acid
CID 4917226
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 2810548
2-N-hydroxy-5-N-[(4-methoxyphenyl)methyl]-1-benzothiophene-2,5-dicarboxamide
CID 11439694
3-Chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 652152
3-{[(3-Chloro-1-benzothien-2-yl)carbonyl]amino}-3-(4-methoxyphenyl)propanoic acid
CID 4385163
7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide
CID 118728444
5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 137635339
N-benzyl-5-methoxy-1-benzothiophene-2-carboxamide
CID 137657739
N-(2-chlorobenzoyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 168290551

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide (CID 1358918) is 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide is COc1ccc(CCNC(=O)c2sc3cc(C)ccc3c2Cl)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is NTHYMDXSBDPLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2S/c1-12-3-8-15-16(11-12)24-18(17(15)20)19(22)21-10-9-13-4-6-14(23-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1358918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).