[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol

C13H22N2O4S — CID 114815613

IUPAC[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol
SMILESCCOc1ccc(NS(=O)(=O)NCC(C)C)cc1CO
InChIInChI=1S/C13H22N2O4S/c1-4-19-13-6-5-12(7-11(13)9-16)15-20(17,18)14-8-10(2)3/h5-7,10,14-16H,4,8-9H2,1-3H3
InChIKeyJCRHLYHNSHUPLG-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.48
Rot. Bonds8

About [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol

[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol (PubChem CID 114815613) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol
PubChem CID114815613
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol
SMILESCCOc1ccc(NS(=O)(=O)NCC(C)C)cc1CO
InChIInChI=1S/C13H22N2O4S/c1-4-19-13-6-5-12(7-11(13)9-16)15-20(17,18)14-8-10(2)3/h5-7,10,14-16H,4,8-9H2,1-3H3
InChIKeyJCRHLYHNSHUPLG-UHFFFAOYSA-N
XLogP1.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79130523
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide
CID 60520911
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839
4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide
CID 47059390
4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 60520999
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol?
The IUPAC name of [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol (CID 114815613) is [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol is CCOc1ccc(NS(=O)(=O)NCC(C)C)cc1CO.
What is the InChIKey of [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol?
The InChIKey is JCRHLYHNSHUPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-4-19-13-6-5-12(7-11(13)9-16)15-20(17,18)14-8-10(2)3/h5-7,10,14-16H,4,8-9H2,1-3H3.
What are the key properties of [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol?
[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol has a molecular weight of 302.40 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol is sourced from PubChem (CID 114815613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).