N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide

C16H26N2O3S — CID 110302059

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)C2CCCC2)N(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-18(2)16(13-8-10-14(21-3)11-9-13)12-17-22(19,20)15-6-4-5-7-15/h8-11,15-17H,4-7,12H2,1-3H3
InChIKeyCQGBFKLVLLHIBP-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.16
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide (PubChem CID 110302059) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
PubChem CID110302059
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)C2CCCC2)N(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-18(2)16(13-8-10-14(21-3)11-9-13)12-17-22(19,20)15-6-4-5-7-15/h8-11,15-17H,4-7,12H2,1-3H3
InChIKeyCQGBFKLVLLHIBP-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302652
N-[2-(dimethylamino)-2-phenylethyl]cyclopentanesulfonamide
CID 110301928
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 112501881
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
CID 90623438
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110621142
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide
CID 110308806
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112502925
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716563
(8aR)-2-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 100676557
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 45003235

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide (CID 110302059) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide is COc1ccc(C(CNS(=O)(=O)C2CCCC2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide?
The InChIKey is CQGBFKLVLLHIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-18(2)16(13-8-10-14(21-3)11-9-13)12-17-22(19,20)15-6-4-5-7-15/h8-11,15-17H,4-7,12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide is sourced from PubChem (CID 110302059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).