2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide

C18H20ClNO5S — CID 110357937

IUPAC2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO5S/c1-24-16-8-7-15(12-17(16)25-2)26(22,23)10-9-20-18(21)11-13-3-5-14(19)6-4-13/h3-8,12H,9-11H2,1-2H3,(H,20,21)
InChIKeyAPSHNJPVUPDBOS-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.49
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide

2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide (PubChem CID 110357937) has the molecular formula C18H20ClNO5S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
PubChem CID110357937
Molecular FormulaC18H20ClNO5S
Molecular Weight397.88 g/mol
Exact Mass397.08
IUPAC Name2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO5S/c1-24-16-8-7-15(12-17(16)25-2)26(22,23)10-9-20-18(21)11-13-3-5-14(19)6-4-13/h3-8,12H,9-11H2,1-2H3,(H,20,21)
InChIKeyAPSHNJPVUPDBOS-UHFFFAOYSA-N
XLogP2.49
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
CID 110357946
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
CID 110356474
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 43898830
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-phenylbutanamide
CID 110607851
2-(4-chlorophenyl)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 112994111
phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate
CID 110357956
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166199698

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide (CID 110357937) is 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide is COc1ccc(S(=O)(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide?
The InChIKey is APSHNJPVUPDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S/c1-24-16-8-7-15(12-17(16)25-2)26(22,23)10-9-20-18(21)11-13-3-5-14(19)6-4-13/h3-8,12H,9-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide has a molecular weight of 397.88 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide is sourced from PubChem (CID 110357937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).