N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide

C19H17NO4S2 — CID 993466

IUPACN-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccc(C)cc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17NO4S2/c1-14-5-7-15(8-6-14)19(21)20(16-9-11-17(24-2)12-10-16)26(22,23)18-4-3-13-25-18/h3-13H,1-2H3
InChIKeyJQKXSLGNDSOVTL-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.10
Rot. Bonds5

About N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide

N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide (PubChem CID 993466) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide
PubChem CID993466
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC NameN-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccc(C)cc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17NO4S2/c1-14-5-7-15(8-6-14)19(21)20(16-9-11-17(24-2)12-10-16)26(22,23)18-4-3-13-25-18/h3-13H,1-2H3
InChIKeyJQKXSLGNDSOVTL-UHFFFAOYSA-N
XLogP4.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylbenzamide
CID 993467
[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate
CID 754067
4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 5128744
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210463
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
[4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate
CID 2376152
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 2907624
N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide (CID 993466) is N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide is COc1ccc(N(C(=O)c2ccc(C)cc2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide?
The InChIKey is JQKXSLGNDSOVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-14-5-7-15(8-6-14)19(21)20(16-9-11-17(24-2)12-10-16)26(22,23)18-4-3-13-25-18/h3-13H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide?
N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide has a molecular weight of 387.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide is sourced from PubChem (CID 993466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).