3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide

C18H20ClNO4S — CID 110418941

IUPAC3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20ClNO4S/c1-3-20(14-7-5-4-6-8-14)18(21)11-12-25(22,23)15-9-10-17(24-2)16(19)13-15/h4-10,13H,3,11-12H2,1-2H3
InChIKeyVCTJIYLLLXGFPA-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.57
Rot. Bonds7

About 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide (PubChem CID 110418941) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide
PubChem CID110418941
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20ClNO4S/c1-3-20(14-7-5-4-6-8-14)18(21)11-12-25(22,23)15-9-10-17(24-2)16(19)13-15/h4-10,13H,3,11-12H2,1-2H3
InChIKeyVCTJIYLLLXGFPA-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide
CID 112996961
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
CID 110414798
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
N-ethyl-3-(2-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144524
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416390
3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 110422910
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 37498559
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40781183
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
CID 110428380

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide (CID 110418941) is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide?
The InChIKey is VCTJIYLLLXGFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-3-20(14-7-5-4-6-8-14)18(21)11-12-25(22,23)15-9-10-17(24-2)16(19)13-15/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide?
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide has a molecular weight of 381.88 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 110418941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).