2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide

C13H19BrN2O3S — CID 27209258

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-10(2)8-15-13(17)9-16(3)20(18,19)12-6-4-11(14)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyNDEXDFQNSUJUAZ-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.84
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 27209258) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID27209258
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-10(2)8-15-13(17)9-16(3)20(18,19)12-6-4-11(14)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyNDEXDFQNSUJUAZ-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-[(4-bromo-3-fluorophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107650373
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 55830901
2-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 116528817
propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate
CID 56543925
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797738
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
CID 60510794
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide (CID 27209258) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is NDEXDFQNSUJUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-10(2)8-15-13(17)9-16(3)20(18,19)12-6-4-11(14)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 363.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 27209258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).