N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide

C16H26N2O4S2 — CID 110345821

IUPACN-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCS(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H26N2O4S2/c19-23(20,13-6-9-15-7-2-1-3-8-15)17-12-14-24(21,22)18-16-10-4-5-11-16/h1-3,7-8,16-18H,4-6,9-14H2
InChIKeyXJTVTXKNIDUZJZ-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.40
Rot. Bonds10

About N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide

N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110345821) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide
PubChem CID110345821
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC NameN-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCS(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H26N2O4S2/c19-23(20,13-6-9-15-7-2-1-3-8-15)17-12-14-24(21,22)18-16-10-4-5-11-16/h1-3,7-8,16-18H,4-6,9-14H2
InChIKeyXJTVTXKNIDUZJZ-UHFFFAOYSA-N
XLogP1.40
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide
CID 110715024
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345804
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112500601
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110728027
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110718507
N-cyclohexyl-2-(2-methylphenyl)ethanesulfonamide
CID 102119332

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide (CID 110345821) is N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCCS(=O)(=O)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is XJTVTXKNIDUZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c19-23(20,13-6-9-15-7-2-1-3-8-15)17-12-14-24(21,22)18-16-10-4-5-11-16/h1-3,7-8,16-18H,4-6,9-14H2.
What are the key properties of N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide?
N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 374.53 g/mol, XLogP of 1.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110345821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).