3-methylpentyl-(4-sulfamoylphenyl)carbamic acid

C13H20N2O4S — CID 135384689

IUPAC3-methylpentyl-(4-sulfamoylphenyl)carbamic acid
SMILESCCC(C)CCN(C(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-10(2)8-9-15(13(16)17)11-4-6-12(7-5-11)20(14,18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyPFMOPAOJFKUICY-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.25
Rot. Bonds6

About 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid

3-methylpentyl-(4-sulfamoylphenyl)carbamic acid (PubChem CID 135384689) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid.

Molecular Properties

Compound Name3-methylpentyl-(4-sulfamoylphenyl)carbamic acid
PubChem CID135384689
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-methylpentyl-(4-sulfamoylphenyl)carbamic acid
SMILESCCC(C)CCN(C(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-10(2)8-9-15(13(16)17)11-4-6-12(7-5-11)20(14,18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyPFMOPAOJFKUICY-UHFFFAOYSA-N
XLogP2.25
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid 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-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid
CID 57376199
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
N-(2-methylbutyl)-N-phenylcarbamate
CID 21460549
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid
CID 43296175
4-methoxy-N-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 113382234
N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 38591628
(2R)-2-(4-sulfamoylphenyl)propanoic acid
CID 124571575
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
4-(1-hydroxypentyl)benzenesulfonamide
CID 139816747
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
4-pentan-2-ylbenzenesulfonamide
CID 134449965

Frequently Asked Questions

What is the IUPAC name of 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid?
The IUPAC name of 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid (CID 135384689) is 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid.
What is the SMILES notation for 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid?
The canonical SMILES for 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid is CCC(C)CCN(C(=O)O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid?
The InChIKey is PFMOPAOJFKUICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-10(2)8-9-15(13(16)17)11-4-6-12(7-5-11)20(14,18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H2,14,18,19).
What are the key properties of 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid?
3-methylpentyl-(4-sulfamoylphenyl)carbamic acid has a molecular weight of 300.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentyl-(4-sulfamoylphenyl)carbamic acid is sourced from PubChem (CID 135384689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).