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

C13H19BrN2O4S — CID 31391904

IUPAC2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H19BrN2O4S/c1-4-7-15-13(17)9-16(2)21(18,19)10-5-6-12(20-3)11(14)8-10/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)
InChIKeyAQCUEOYHVGMPEE-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.60
Rot. Bonds7

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

2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide (PubChem CID 31391904) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
PubChem CID31391904
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H19BrN2O4S/c1-4-7-15-13(17)9-16(2)21(18,19)10-5-6-12(20-3)11(14)8-10/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)
InChIKeyAQCUEOYHVGMPEE-UHFFFAOYSA-N
XLogP1.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256526
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 60670069
2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61126734
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-[(4-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452669
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2230318
2-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452668
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide
CID 61073569

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide (CID 31391904) is 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide?
The InChIKey is AQCUEOYHVGMPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-4-7-15-13(17)9-16(2)21(18,19)10-5-6-12(20-3)11(14)8-10/h5-6,8H,4,7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide?
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide has a molecular weight of 379.28 g/mol, XLogP of 1.60, 7 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-propylacetamide is sourced from PubChem (CID 31391904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).