N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide

C18H27N3O4S — CID 108958583

IUPACN-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESCC(C)(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O4S/c1-18(2,17(23)21-14-5-3-4-6-14)16(22)20-12-11-13-7-9-15(10-8-13)26(19,24)25/h7-10,14H,3-6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyCXUVGSNAZSUFPM-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.08
Rot. Bonds7

About N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide

N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide (PubChem CID 108958583) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
PubChem CID108958583
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
SMILESCC(C)(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O4S/c1-18(2,17(23)21-14-5-3-4-6-14)16(22)20-12-11-13-7-9-15(10-8-13)26(19,24)25/h7-10,14H,3-6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyCXUVGSNAZSUFPM-UHFFFAOYSA-N
XLogP1.08
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide 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-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108942543
2,2-dimethyl-N-phenyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108965001
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 108964998
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964347
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
CID 110776114
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
CID 108759314
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
2,2-dichloro-1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 46651331
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The IUPAC name of N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide (CID 108958583) is N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide.
What is the SMILES notation for N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The canonical SMILES for N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide is CC(C)(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
The InChIKey is CXUVGSNAZSUFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-18(2,17(23)21-14-5-3-4-6-14)16(22)20-12-11-13-7-9-15(10-8-13)26(19,24)25/h7-10,14H,3-6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide?
N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide has a molecular weight of 381.50 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide is sourced from PubChem (CID 108958583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).