2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide

C12H18N2O4S — CID 54985267

IUPAC2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O4S/c1-3-8-14(9-12(16)13-2)19(17,18)11-6-4-10(15)5-7-11/h4-7,15H,3,8-9H2,1-2H3,(H,13,16)
InChIKeyFZPSMLDIEAWLRR-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.54
Rot. Bonds6

About 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide

2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide (PubChem CID 54985267) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide
PubChem CID54985267
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H18N2O4S/c1-3-8-14(9-12(16)13-2)19(17,18)11-6-4-10(15)5-7-11/h4-7,15H,3,8-9H2,1-2H3,(H,13,16)
InChIKeyFZPSMLDIEAWLRR-UHFFFAOYSA-N
XLogP0.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
2-[[4-(2-chloroethyl)phenyl]sulfonyl-propylamino]-N-methylacetamide
CID 61042103
2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 103697437
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 47298920
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 52698039
2-[(3-amino-2,4-difluorophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 107343346
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide
CID 29281469
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 103989150
2-[(2-carbamothioyl-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 106596962

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide (CID 54985267) is 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide?
The InChIKey is FZPSMLDIEAWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-8-14(9-12(16)13-2)19(17,18)11-6-4-10(15)5-7-11/h4-7,15H,3,8-9H2,1-2H3,(H,13,16).
What are the key properties of 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide?
2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide has a molecular weight of 286.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 54985267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).