3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide

C13H21N3O4S — CID 106170973

IUPAC3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H21N3O4S/c1-9(15-8-12(17)13(14)18)10-4-6-11(7-5-10)21(19,20)16(2)3/h4-7,9,12,15,17H,8H2,1-3H3,(H2,14,18)
InChIKeyWWJJXZMQRXAURX-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.57
Rot. Bonds7

About 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide

3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide (PubChem CID 106170973) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
PubChem CID106170973
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H21N3O4S/c1-9(15-8-12(17)13(14)18)10-4-6-11(7-5-10)21(19,20)16(2)3/h4-7,9,12,15,17H,8H2,1-3H3,(H2,14,18)
InChIKeyWWJJXZMQRXAURX-UHFFFAOYSA-N
XLogP-0.57
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide 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

4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 63298736
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
CID 114153568
N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115896099
2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 106170555
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
CID 106171785
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide (CID 106170973) is 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide is CC(NCC(O)C(N)=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide?
The InChIKey is WWJJXZMQRXAURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9(15-8-12(17)13(14)18)10-4-6-11(7-5-10)21(19,20)16(2)3/h4-7,9,12,15,17H,8H2,1-3H3,(H2,14,18).
What are the key properties of 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide?
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide has a molecular weight of 315.40 g/mol, XLogP of -0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106170973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).