N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide

C16H26N2O5S2 — CID 75392991

IUPACN-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2CCCC2)c(OC)c1
InChIInChI=1S/C16H26N2O5S2/c1-3-24(19,20)18-14-8-9-16(15(12-14)23-2)25(21,22)17-11-10-13-6-4-5-7-13/h8-9,12-13,17-18H,3-7,10-11H2,1-2H3
InChIKeyKTSIDEUOYMFIIX-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.32
Rot. Bonds9

About N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide

N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide (PubChem CID 75392991) has the molecular formula C16H26N2O5S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide
PubChem CID75392991
Molecular FormulaC16H26N2O5S2
Molecular Weight390.53 g/mol
Exact Mass390.13
IUPAC NameN-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2CCCC2)c(OC)c1
InChIInChI=1S/C16H26N2O5S2/c1-3-24(19,20)18-14-8-9-16(15(12-14)23-2)25(21,22)17-11-10-13-6-4-5-7-13/h8-9,12-13,17-18H,3-7,10-11H2,1-2H3
InChIKeyKTSIDEUOYMFIIX-UHFFFAOYSA-N
XLogP2.32
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide 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-(4-aminobutyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 120583580
4-(ethylsulfonylamino)-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825303
4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724693
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624523
2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 170338932
N-(3-methoxy-4-phenylphenyl)ethanesulfonamide
CID 71225607
N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
CID 107329148
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
4-(2-cyclopentylethylsulfamoyl)-3-methylbenzenecarbothioamide
CID 106997804
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide (CID 75392991) is N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide is CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCC2CCCC2)c(OC)c1.
What is the InChIKey of N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide?
The InChIKey is KTSIDEUOYMFIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S2/c1-3-24(19,20)18-14-8-9-16(15(12-14)23-2)25(21,22)17-11-10-13-6-4-5-7-13/h8-9,12-13,17-18H,3-7,10-11H2,1-2H3.
What are the key properties of N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide?
N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide has a molecular weight of 390.53 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 75392991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).