N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide

C11H16BrN3O3S — CID 113000594

IUPACN-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C11H16BrN3O3S/c1-8-6-9(12)4-5-10(8)14-11(16)7-13-19(17,18)15(2)3/h4-6,13H,7H2,1-3H3,(H,14,16)
InChIKeyZZELSMLUCSWMBY-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.09
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide

N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide (PubChem CID 113000594) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide
PubChem CID113000594
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C11H16BrN3O3S/c1-8-6-9(12)4-5-10(8)14-11(16)7-13-19(17,18)15(2)3/h4-6,13H,7H2,1-3H3,(H,14,16)
InChIKeyZZELSMLUCSWMBY-UHFFFAOYSA-N
XLogP1.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908308
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107
N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide
CID 32676028
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974436
N-(4-bromo-2-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148206
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
CID 113136785
N-(4-bromo-2-methylphenyl)-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetamide
CID 17432748

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide (CID 113000594) is N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide is Cc1cc(Br)ccc1NC(=O)CNS(=O)(=O)N(C)C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide?
The InChIKey is ZZELSMLUCSWMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-8-6-9(12)4-5-10(8)14-11(16)7-13-19(17,18)15(2)3/h4-6,13H,7H2,1-3H3,(H,14,16).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide?
N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide has a molecular weight of 350.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(dimethylsulfamoylamino)acetamide is sourced from PubChem (CID 113000594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).