N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide

C17H23ClN2O4S — CID 5107523

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H23ClN2O4S/c18-15-6-5-14(19-17(21)11-13-3-1-2-4-13)12-16(15)25(22,23)20-7-9-24-10-8-20/h5-6,12-13H,1-4,7-11H2,(H,19,21)
InChIKeyRRHITDTUGPXOGY-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.88
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide (PubChem CID 5107523) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide
PubChem CID5107523
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H23ClN2O4S/c18-15-6-5-14(19-17(21)11-13-3-1-2-4-13)12-16(15)25(22,23)20-7-9-24-10-8-20/h5-6,12-13H,1-4,7-11H2,(H,19,21)
InChIKeyRRHITDTUGPXOGY-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-chloro-3-(morpholine-4-sulfonyl)phenyl]acetamide
CID 3816252
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1105149
2-(4-chlorophenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]acetamide
CID 1164400
N-(4-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548697
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4004588
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4424734
[2-[4-Chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 4645455
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 8195568
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 16235315
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 4012245
N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 4043443

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide (CID 5107523) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide is O=C(CC1CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide?
The InChIKey is RRHITDTUGPXOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c18-15-6-5-14(19-17(21)11-13-3-1-2-4-13)12-16(15)25(22,23)20-7-9-24-10-8-20/h5-6,12-13H,1-4,7-11H2,(H,19,21).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide has a molecular weight of 386.90 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-cyclopentylacetamide is sourced from PubChem (CID 5107523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).