2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide

C19H15NO4S2 — CID 167875203

IUPAC2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2C(=O)c2ccccc2)s1
InChIInChI=1S/C19H15NO4S2/c1-13-11-12-17(25-13)26(23,24)20-19(22)16-10-6-5-9-15(16)18(21)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,22)
InChIKeyYMHFZJFTAHBSEZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.41
Rot. Bonds5

About 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide

2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide (PubChem CID 167875203) has the molecular formula C19H15NO4S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
PubChem CID167875203
Molecular FormulaC19H15NO4S2
Molecular Weight385.47 g/mol
Exact Mass385.04
IUPAC Name2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2C(=O)c2ccccc2)s1
InChIInChI=1S/C19H15NO4S2/c1-13-11-12-17(25-13)26(23,24)20-19(22)16-10-6-5-9-15(16)18(21)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,22)
InChIKeyYMHFZJFTAHBSEZ-UHFFFAOYSA-N
XLogP3.41
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methylthiophen-2-yl)sulfonyl-3-phenylthiourea
CID 2306848
3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide
CID 55824756
methyl 2-[3-[(5-methylthiophen-2-yl)sulfonylcarbamoyl]phenoxy]acetate
CID 154775001
N-(2-amino-2-ethylbutyl)-2-benzoylbenzamide;hydrochloride
CID 119639602
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
(3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide
CID 95326957
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
6-[(5-methylthiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263723
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
2,2-dimethyl-3-[(5-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 115427424
(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 102391409

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The IUPAC name of 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide (CID 167875203) is 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide.
What is the SMILES notation for 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The canonical SMILES for 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2C(=O)c2ccccc2)s1.
What is the InChIKey of 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The InChIKey is YMHFZJFTAHBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S2/c1-13-11-12-17(25-13)26(23,24)20-19(22)16-10-6-5-9-15(16)18(21)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,22).
What are the key properties of 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide has a molecular weight of 385.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide is sourced from PubChem (CID 167875203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).