2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide

C19H32N2O3S — CID 133185254

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C19H32N2O3S/c1-6-8-11-17(7-2)13-20-19(22)14-21(25(5,23)24)18-12-9-10-15(3)16(18)4/h9-10,12,17H,6-8,11,13-14H2,1-5H3,(H,20,22)
InChIKeyZLTCTHAPYZJMBT-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.40
Rot. Bonds10

About 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide (PubChem CID 133185254) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
PubChem CID133185254
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C19H32N2O3S/c1-6-8-11-17(7-2)13-20-19(22)14-21(25(5,23)24)18-12-9-10-15(3)16(18)4/h9-10,12,17H,6-8,11,13-14H2,1-5H3,(H,20,22)
InChIKeyZLTCTHAPYZJMBT-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185222
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185206
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185163
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133163859
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113154047
N-(2-ethylhexyl)-4-(N-methylsulfonyl-2-propan-2-ylanilino)butanamide
CID 133200489
N-(2-ethylhexyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133185425
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-ethylhexyl)acetamide
CID 133244646
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 3147408
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
CID 975035
1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea
CID 129089188

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide (CID 133185254) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The InChIKey is ZLTCTHAPYZJMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-6-8-11-17(7-2)13-20-19(22)14-21(25(5,23)24)18-12-9-10-15(3)16(18)4/h9-10,12,17H,6-8,11,13-14H2,1-5H3,(H,20,22).
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide has a molecular weight of 368.54 g/mol, XLogP of 3.40, 10 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-(2-ethylhexyl)acetamide is sourced from PubChem (CID 133185254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).