N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide

C18H28N2O3S — CID 86828299

IUPACN-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C18H28N2O3S/c1-14-9-10-16(24(4,22)23)13-17(14)18(21)20(12-11-19(2)3)15-7-5-6-8-15/h9-10,13,15H,5-8,11-12H2,1-4H3
InChIKeyLEOCIRCJBIHWBR-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.34
Rot. Bonds6

About N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 86828299) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID86828299
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C18H28N2O3S/c1-14-9-10-16(24(4,22)23)13-17(14)18(21)20(12-11-19(2)3)15-7-5-6-8-15/h9-10,13,15H,5-8,11-12H2,1-4H3
InChIKeyLEOCIRCJBIHWBR-UHFFFAOYSA-N
XLogP2.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
CID 134060819
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-methyl-5-methylsulfonylbenzamide
CID 8834152
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-methylthiophene-2-carboxamide
CID 61114783
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859
5-bromo-N-cyclopentyl-N-ethyl-2-methylbenzamide
CID 65306938
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide
CID 61114023
N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide
CID 171676502
5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 120635998
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
CID 119194905

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide (CID 86828299) is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CCN(C)C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is LEOCIRCJBIHWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-9-10-16(24(4,22)23)13-17(14)18(21)20(12-11-19(2)3)15-7-5-6-8-15/h9-10,13,15H,5-8,11-12H2,1-4H3.
What are the key properties of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide?
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 352.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 86828299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).