N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide

C19H23BrN2O3S — CID 52611501

IUPACN-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)c2ccc(Br)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H23BrN2O3S/c1-13-5-6-14(11-17(13)22-26(4,24)25)18(23)21-12-19(2,3)15-7-9-16(20)10-8-15/h5-11,22H,12H2,1-4H3,(H,21,23)
InChIKeyXGMDYFDEAOLCKM-UHFFFAOYSA-N
MW439.38 g/mol
LogP3.84
Rot. Bonds6

About N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide

N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 52611501) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID52611501
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC NameN-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)c2ccc(Br)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H23BrN2O3S/c1-13-5-6-14(11-17(13)22-26(4,24)25)18(23)21-12-19(2,3)15-7-9-16(20)10-8-15/h5-11,22H,12H2,1-4H3,(H,21,23)
InChIKeyXGMDYFDEAOLCKM-UHFFFAOYSA-N
XLogP3.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062512
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
CID 49019461
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 94617104
N-[5-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 39982550
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 52611501) is N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)NCC(C)(C)c2ccc(Br)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is XGMDYFDEAOLCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-13-5-6-14(11-17(13)22-26(4,24)25)18(23)21-12-19(2,3)15-7-9-16(20)10-8-15/h5-11,22H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 439.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-methylpropyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 52611501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).