2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide

C22H30N2O3S — CID 30225236

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C22H30N2O3S/c1-7-20(19-12-11-15(2)13-17(19)4)23-22(25)14-24(28(6,26)27)21-10-8-9-16(3)18(21)5/h8-13,20H,7,14H2,1-6H3,(H,23,25)/t20-/m1/s1
InChIKeyJQESWXSVYSSPAN-HXUWFJFHSA-N
MW402.56 g/mol
LogP3.95
Rot. Bonds7

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

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide (PubChem CID 30225236) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
PubChem CID30225236
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C22H30N2O3S/c1-7-20(19-12-11-15(2)13-17(19)4)23-22(25)14-24(28(6,26)27)21-10-8-9-16(3)18(21)5/h8-13,20H,7,14H2,1-6H3,(H,23,25)/t20-/m1/s1
InChIKeyJQESWXSVYSSPAN-HXUWFJFHSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896260
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30244091
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
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 30254871
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30254324
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100576420
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43896089
N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide
CID 132673931
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30274731
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide (CID 30225236) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
The InChIKey is JQESWXSVYSSPAN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-7-20(19-12-11-15(2)13-17(19)4)23-22(25)14-24(28(6,26)27)21-10-8-9-16(3)18(21)5/h8-13,20H,7,14H2,1-6H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide has a molecular weight of 402.56 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 30225236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).