N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide

C18H20ClNO4S — CID 19210329

IUPACN-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4S/c1-3-5-18(21)20(15-8-10-16(11-9-15)24-4-2)25(22,23)17-12-6-14(19)7-13-17/h6-13H,3-5H2,1-2H3
InChIKeyOESNMSDWKDZGMC-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.26
Rot. Bonds7

About N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide

N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide (PubChem CID 19210329) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
PubChem CID19210329
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
SMILESCCCC(=O)N(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO4S/c1-3-5-18(21)20(15-8-10-16(11-9-15)24-4-2)25(22,23)17-12-6-14(19)7-13-17/h6-13H,3-5H2,1-2H3
InChIKeyOESNMSDWKDZGMC-UHFFFAOYSA-N
XLogP4.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19218828
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19218865
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
N-(4-chlorophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)acetamide
CID 1180349
N-(4-chlorophenyl)sulfonyl-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19218128
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
(E)-3-(2-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)prop-2-enamide
CID 19211903
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide
CID 19211344
N-(4-chlorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)butanamide
CID 3311047
N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218720
4-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218975
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-propan-2-ylacetamide
CID 3130619

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide (CID 19210329) is N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide is CCCC(=O)N(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide?
The InChIKey is OESNMSDWKDZGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-3-5-18(21)20(15-8-10-16(11-9-15)24-4-2)25(22,23)17-12-6-14(19)7-13-17/h6-13H,3-5H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide?
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide has a molecular weight of 381.88 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide is sourced from PubChem (CID 19210329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).