N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide

C20H26N2O3S — CID 9393889

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-6-14(2)16-8-10-17(11-9-16)21-20(23)19-13-18(12-7-15(19)3)26(24,25)22(4)5/h7-14H,6H2,1-5H3,(H,21,23)/t14-/m1/s1
InChIKeyXFSBNQLFCOVIGE-CQSZACIVSA-N
MW374.51 g/mol
LogP4.01
Rot. Bonds6

About N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide

N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide (PubChem CID 9393889) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
PubChem CID9393889
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-6-14(2)16-8-10-17(11-9-16)21-20(23)19-13-18(12-7-15(19)3)26(24,25)22(4)5/h7-14H,6H2,1-5H3,(H,21,23)/t14-/m1/s1
InChIKeyXFSBNQLFCOVIGE-CQSZACIVSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]benzoate
CID 18083965
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41198961
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603643
2-bromo-N-(4-butan-2-ylphenyl)-3-methylbenzamide
CID 107982420
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188
N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 81481600
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide (CID 9393889) is N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide is CC[C@@H](C)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide?
The InChIKey is XFSBNQLFCOVIGE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-6-14(2)16-8-10-17(11-9-16)21-20(23)19-13-18(12-7-15(19)3)26(24,25)22(4)5/h7-14H,6H2,1-5H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide?
N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 9393889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).