2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide

C19H32N2O3S — CID 133185163

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C19H32N2O3S/c1-6-8-9-17(7-2)13-20-19(22)14-21(25(5,23)24)18-11-10-15(3)16(4)12-18/h10-12,17H,6-9,13-14H2,1-5H3,(H,20,22)
InChIKeyWNEJAJZWYUHVLT-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.40
Rot. Bonds10

About 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide (PubChem CID 133185163) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
PubChem CID133185163
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C19H32N2O3S/c1-6-8-9-17(7-2)13-20-19(22)14-21(25(5,23)24)18-11-10-15(3)16(4)12-18/h10-12,17H,6-9,13-14H2,1-5H3,(H,20,22)
InChIKeyWNEJAJZWYUHVLT-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-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133163859
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185206
4-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)butanamide
CID 133200434
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185254
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133229095
2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185222
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylhexyl)butanamide
CID 133202028
4-(4-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)butanamide
CID 133218550
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2285699
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide
CID 94844127
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38008993
N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 133202046

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide (CID 133185163) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
The InChIKey is WNEJAJZWYUHVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-6-8-9-17(7-2)13-20-19(22)14-21(25(5,23)24)18-11-10-15(3)16(4)12-18/h10-12,17H,6-9,13-14H2,1-5H3,(H,20,22).
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide?
2-(3,4-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-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 133185163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).