N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide

C12H19NO4S — CID 165347304

IUPACN-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide
SMILESCCCN(c1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C12H19NO4S/c1-5-8-13(18(4,14)15)11-7-6-10(16-2)9-12(11)17-3/h6-7,9H,5,8H2,1-4H3
InChIKeyWGNRHCBJJRSQKT-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.88
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide

N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide (PubChem CID 165347304) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide
PubChem CID165347304
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide
SMILESCCCN(c1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C12H19NO4S/c1-5-8-13(18(4,14)15)11-7-6-10(16-2)9-12(11)17-3/h6-7,9H,5,8H2,1-4H3
InChIKeyWGNRHCBJJRSQKT-UHFFFAOYSA-N
XLogP1.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070811
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 3138977
N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145132
3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113145127
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethoxyphenyl)methanesulfonamide
CID 113145157
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2890925
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998604
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776
4-(2,4-dimethoxy-N-propylanilino)butanoic acid
CID 100521291

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide (CID 165347304) is N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide is CCCN(c1ccc(OC)cc1OC)S(C)(=O)=O.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide?
The InChIKey is WGNRHCBJJRSQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-5-8-13(18(4,14)15)11-7-6-10(16-2)9-12(11)17-3/h6-7,9H,5,8H2,1-4H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide?
N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 165347304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).