2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide

C21H27ClN2O4S — CID 43896089

IUPAC2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C21H27ClN2O4S/c1-6-19(17-9-7-14(2)11-15(17)3)23-21(25)13-24(29(5,26)27)16-8-10-20(28-4)18(22)12-16/h7-12,19H,6,13H2,1-5H3,(H,23,25)
InChIKeyJPTIUIVWNOXWMW-UHFFFAOYSA-N
MW438.98 g/mol
LogP4.00
Rot. Bonds8

About 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide (PubChem CID 43896089) has the molecular formula C21H27ClN2O4S and a molecular weight of 438.98 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
PubChem CID43896089
Molecular FormulaC21H27ClN2O4S
Molecular Weight438.98 g/mol
Exact Mass438.14
IUPAC Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C21H27ClN2O4S/c1-6-19(17-9-7-14(2)11-15(17)3)23-21(25)13-24(29(5,26)27)16-8-10-20(28-4)18(22)12-16/h7-12,19H,6,13H2,1-5H3,(H,23,25)
InChIKeyJPTIUIVWNOXWMW-UHFFFAOYSA-N
XLogP4.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.98
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92680773
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30219832
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242549
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30254324
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30244091
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92679208
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43896733
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764303
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906271
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 100615499
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30225236
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2279014

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide (CID 43896089) is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The InChIKey is JPTIUIVWNOXWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4S/c1-6-19(17-9-7-14(2)11-15(17)3)23-21(25)13-24(29(5,26)27)16-8-10-20(28-4)18(22)12-16/h7-12,19H,6,13H2,1-5H3,(H,23,25).
What are the key properties of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide has a molecular weight of 438.98 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 43896089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).