N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide

C12H16ClNO4S — CID 86857982

IUPACN-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1ccc(OC)cc1Cl
InChIInChI=1S/C12H16ClNO4S/c1-3-6-19(16,17)8-12(15)14-11-5-4-9(18-2)7-10(11)13/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyHPQSSQZEZDJPFD-UHFFFAOYSA-N
MW305.78 g/mol
LogP2.11
Rot. Bonds6

About N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide

N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide (PubChem CID 86857982) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
PubChem CID86857982
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC NameN-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)Nc1ccc(OC)cc1Cl
InChIInChI=1S/C12H16ClNO4S/c1-3-6-19(16,17)8-12(15)14-11-5-4-9(18-2)7-10(11)13/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyHPQSSQZEZDJPFD-UHFFFAOYSA-N
XLogP2.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide
CID 47207514
N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86860337
N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 86860404
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 86860335
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide (CID 86857982) is N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)Nc1ccc(OC)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide?
The InChIKey is HPQSSQZEZDJPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-3-6-19(16,17)8-12(15)14-11-5-4-9(18-2)7-10(11)13/h4-5,7H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide?
N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide has a molecular weight of 305.78 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide is sourced from PubChem (CID 86857982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).