2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide

C20H26N2O3S — CID 43902646

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-19(17-11-9-15(2)10-12-17)21-20(23)14-22(26(4,24)25)18-8-6-7-16(3)13-18/h6-13,19H,5,14H2,1-4H3,(H,21,23)
InChIKeyDBENCDUHKMSELS-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.34
Rot. Bonds7

About 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide

2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide (PubChem CID 43902646) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
PubChem CID43902646
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-19(17-11-9-15(2)10-12-17)21-20(23)14-22(26(4,24)25)18-8-6-7-16(3)13-18/h6-13,19H,5,14H2,1-4H3,(H,21,23)
InChIKeyDBENCDUHKMSELS-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681523
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764303
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43886521
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92679208
N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30274932
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94012819
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 135119204
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 93486649
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895447
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92680773

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide (CID 43902646) is 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
The InChIKey is DBENCDUHKMSELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-19(17-11-9-15(2)10-12-17)21-20(23)14-22(26(4,24)25)18-8-6-7-16(3)13-18/h6-13,19H,5,14H2,1-4H3,(H,21,23).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 43902646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).