N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide

C14H22N2O4S — CID 61221245

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-10-21(19,20)16-11(2)14(18)15-13-6-4-12(5-7-13)8-9-17/h4-7,11,16-17H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyLGEMEWYWWHSHRB-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.88
Rot. Bonds8

About N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide

N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide (PubChem CID 61221245) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide
PubChem CID61221245
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-10-21(19,20)16-11(2)14(18)15-13-6-4-12(5-7-13)8-9-17/h4-7,11,16-17H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyLGEMEWYWWHSHRB-UHFFFAOYSA-N
XLogP0.88
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838562
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2954412
3-[2-(propylsulfonylamino)propanoylamino]benzoic acid
CID 43171891
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
CID 75381692
N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
CID 51985199

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide (CID 61221245) is N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide is CCCS(=O)(=O)NC(C)C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide?
The InChIKey is LGEMEWYWWHSHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-10-21(19,20)16-11(2)14(18)15-13-6-4-12(5-7-13)8-9-17/h4-7,11,16-17H,3,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide?
N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide has a molecular weight of 314.41 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide is sourced from PubChem (CID 61221245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).