N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C17H24N2O4S — CID 1087796

IUPACN-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCC1
InChIInChI=1S/C17H24N2O4S/c1-13-6-7-15(24(21,22)19-8-10-23-11-9-19)12-16(13)17(20)18-14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,18,20)
InChIKeyNHEDVNJDWQLHGL-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.69
Rot. Bonds4

About N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 1087796) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID1087796
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCC1
InChIInChI=1S/C17H24N2O4S/c1-13-6-7-15(24(21,22)19-8-10-23-11-9-19)12-16(13)17(20)18-14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,18,20)
InChIKeyNHEDVNJDWQLHGL-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

INO-1001 free base
CID 9889396
Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
Ino-1001
CID 11272610
Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
CID 2150
13-fluoro-N-[3-(morpholin-4-yl)propyl]-8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-14-sulfonamide
CID 11248095
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
2,5-dimethyl-N-[4-(4-morpholinylcarbonyl)benzyl]benzenesulfonamide
CID 984387
N-cyclopropyl-3-(morpholin-4-ylsulfonyl)benzamide
CID 2326520
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 1087796) is N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NHEDVNJDWQLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-6-7-15(24(21,22)19-8-10-23-11-9-19)12-16(13)17(20)18-14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1087796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).