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

C20H20N2O3S2 — CID 8853824

IUPAC4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-22(2)27(24,25)17-12-10-16(11-13-17)20(23)21-19(18-9-6-14-26-18)15-7-4-3-5-8-15/h3-14,19H,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyLYLMQKNVVIJPBF-IBGZPJMESA-N
MW400.53 g/mol
LogP3.52
Rot. Bonds6

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

4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (PubChem CID 8853824) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
PubChem CID8853824
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-22(2)27(24,25)17-12-10-16(11-13-17)20(23)21-19(18-9-6-14-26-18)15-7-4-3-5-8-15/h3-14,19H,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyLYLMQKNVVIJPBF-IBGZPJMESA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 24613765
3-[[4-(dimethylsulfamoyl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218999
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46616393
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (CID 8853824) is 4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The InChIKey is LYLMQKNVVIJPBF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-22(2)27(24,25)17-12-10-16(11-13-17)20(23)21-19(18-9-6-14-26-18)15-7-4-3-5-8-15/h3-14,19H,1-2H3,(H,21,23)/t19-/m0/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide has a molecular weight of 400.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 8853824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).