3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide

C18H27N3O4S — CID 2712357

IUPAC3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1
InChIInChI=1S/C18H27N3O4S/c1-3-21(4-2)26(24,25)16-11-7-10-15(13-16)18(23)20-19-17(22)12-14-8-5-6-9-14/h7,10-11,13-14H,3-6,8-9,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyOQMXJWXROPYAFV-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.06
Rot. Bonds7

About 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide

3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide (PubChem CID 2712357) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
PubChem CID2712357
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1
InChIInChI=1S/C18H27N3O4S/c1-3-21(4-2)26(24,25)16-11-7-10-15(13-16)18(23)20-19-17(22)12-14-8-5-6-9-14/h7,10-11,13-14H,3-6,8-9,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyOQMXJWXROPYAFV-UHFFFAOYSA-N
XLogP2.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide
CID 96501882
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
3-[[[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 11944467
3-(diethylsulfamoyl)-N-(2-oxopiperidin-3-yl)benzamide
CID 51128604
N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 34524023

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide (CID 2712357) is 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1.
What is the InChIKey of 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is OQMXJWXROPYAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-3-21(4-2)26(24,25)16-11-7-10-15(13-16)18(23)20-19-17(22)12-14-8-5-6-9-14/h7,10-11,13-14H,3-6,8-9,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide?
3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 2712357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).