2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide

C13H17BrN2O4S — CID 33174885

IUPAC2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1Br
InChIInChI=1S/C13H17BrN2O4S/c1-16(8-13(17)15-9-3-4-9)21(18,19)10-5-6-12(20-2)11(14)7-10/h5-7,9H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyYFYIGUFGQDBXIA-UHFFFAOYSA-N
MW377.26 g/mol
LogP1.36
Rot. Bonds6

About 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide

2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 33174885) has the molecular formula C13H17BrN2O4S and a molecular weight of 377.26 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID33174885
Molecular FormulaC13H17BrN2O4S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1Br
InChIInChI=1S/C13H17BrN2O4S/c1-16(8-13(17)15-9-3-4-9)21(18,19)10-5-6-12(20-2)11(14)7-10/h5-7,9H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyYFYIGUFGQDBXIA-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256526
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 31391904
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 125049354

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 33174885) is 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is YFYIGUFGQDBXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4S/c1-16(8-13(17)15-9-3-4-9)21(18,19)10-5-6-12(20-2)11(14)7-10/h5-7,9H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 377.26 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 33174885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).