2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide

C18H21BrN2O3S — CID 4657987

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C18H21BrN2O3S/c1-11-9-12(2)17(13(3)10-11)20-18(22)14(4)21-25(23,24)16-7-5-15(19)6-8-16/h5-10,14,21H,1-4H3,(H,20,22)
InChIKeySIURPQLJNBSWDA-UHFFFAOYSA-N
MW425.35 g/mol
LogP3.68
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide

2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 4657987) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID4657987
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C18H21BrN2O3S/c1-11-9-12(2)17(13(3)10-11)20-18(22)14(4)21-25(23,24)16-7-5-15(19)6-8-16/h5-10,14,21H,1-4H3,(H,20,22)
InChIKeySIURPQLJNBSWDA-UHFFFAOYSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)propanamide
CID 50740258
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
CID 3652587
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330822
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330824
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide (CID 4657987) is 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is SIURPQLJNBSWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-11-9-12(2)17(13(3)10-11)20-18(22)14(4)21-25(23,24)16-7-5-15(19)6-8-16/h5-10,14,21H,1-4H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 425.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 4657987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).