1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea

C13H21N3O3S — CID 129375380

IUPAC1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
SMILESCCN(CC)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-4-16(5-2)13(17)15-10(3)11-6-8-12(9-7-11)20(14,18)19/h6-10H,4-5H2,1-3H3,(H,15,17)(H2,14,18,19)/t10-/m1/s1
InChIKeyWOKIEFSYKFNSQL-SNVBAGLBSA-N
MW299.40 g/mol
LogP1.45
Rot. Bonds5

About 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea

1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 129375380) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID129375380
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
SMILESCCN(CC)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-4-16(5-2)13(17)15-10(3)11-6-8-12(9-7-11)20(14,18)19/h6-10H,4-5H2,1-3H3,(H,15,17)(H2,14,18,19)/t10-/m1/s1
InChIKeyWOKIEFSYKFNSQL-SNVBAGLBSA-N
XLogP1.45
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea 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

1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
1-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-hydroxypropyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 51957682
(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate
CID 94033199
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea (CID 129375380) is 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea is CCN(CC)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is WOKIEFSYKFNSQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-16(5-2)13(17)15-10(3)11-6-8-12(9-7-11)20(14,18)19/h6-10H,4-5H2,1-3H3,(H,15,17)(H2,14,18,19)/t10-/m1/s1.
What are the key properties of 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea?
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 299.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 129375380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).