7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide

C18H16ClNO4S2 — CID 71946672

IUPAC7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)c2csc3c(Cl)cccc23)cc1
InChIInChI=1S/C18H16ClNO4S2/c1-24-12-5-7-13(8-6-12)26(22,23)10-9-20-18(21)15-11-25-17-14(15)3-2-4-16(17)19/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyQUCMNOYNESRZMX-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.77
Rot. Bonds6

About 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide

7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide (PubChem CID 71946672) has the molecular formula C18H16ClNO4S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide
PubChem CID71946672
Molecular FormulaC18H16ClNO4S2
Molecular Weight409.92 g/mol
Exact Mass409.02
IUPAC Name7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)c2csc3c(Cl)cccc23)cc1
InChIInChI=1S/C18H16ClNO4S2/c1-24-12-5-7-13(8-6-12)26(22,23)10-9-20-18(21)15-11-25-17-14(15)3-2-4-16(17)19/h2-8,11H,9-10H2,1H3,(H,20,21)
InChIKeyQUCMNOYNESRZMX-UHFFFAOYSA-N
XLogP3.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324012
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,6,8-trimethylquinoline-3-carboxamide
CID 46975216
N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015
6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
CID 46975783
2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
CID 139892733
1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
CID 54774396
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 41322234
3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
CID 110357946
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide (CID 71946672) is 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide is COc1ccc(S(=O)(=O)CCNC(=O)c2csc3c(Cl)cccc23)cc1.
What is the InChIKey of 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide?
The InChIKey is QUCMNOYNESRZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S2/c1-24-12-5-7-13(8-6-12)26(22,23)10-9-20-18(21)15-11-25-17-14(15)3-2-4-16(17)19/h2-8,11H,9-10H2,1H3,(H,20,21).
What are the key properties of 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide?
7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(4-methoxyphenyl)sulfonylethyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 71946672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).