4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide

C19H17NO3S2 — CID 46564732

IUPAC4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C19H17NO3S2/c1-25(22,23)16-11-9-15(10-12-16)19(21)20-18(17-8-5-13-24-17)14-6-3-2-4-7-14/h2-13,18H,1H3,(H,20,21)
InChIKeyJXMJFLUDMURGAC-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.67
Rot. Bonds5

About 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide

4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide (PubChem CID 46564732) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
PubChem CID46564732
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C19H17NO3S2/c1-25(22,23)16-11-9-15(10-12-16)19(21)20-18(17-8-5-13-24-17)14-6-3-2-4-7-14/h2-13,18H,1H3,(H,20,21)
InChIKeyJXMJFLUDMURGAC-UHFFFAOYSA-N
XLogP3.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46616393
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 26177688
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450
tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate
CID 43021913
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide (CID 46564732) is 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide is CS(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2cccs2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide?
The InChIKey is JXMJFLUDMURGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-25(22,23)16-11-9-15(10-12-16)19(21)20-18(17-8-5-13-24-17)14-6-3-2-4-7-14/h2-13,18H,1H3,(H,20,21).
What are the key properties of 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide?
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide has a molecular weight of 371.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 46564732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).