2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide

C24H34N2O4S — CID 133244644

IUPAC2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H34N2O4S/c1-5-7-11-20(6-2)17-25-24(27)18-26(22-16-19(3)14-15-23(22)30-4)31(28,29)21-12-9-8-10-13-21/h8-10,12-16,20H,5-7,11,17-18H2,1-4H3,(H,25,27)
InChIKeyYRIIDVRJZVKTMZ-UHFFFAOYSA-N
MW446.61 g/mol
LogP4.53
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide (PubChem CID 133244644) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide
PubChem CID133244644
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H34N2O4S/c1-5-7-11-20(6-2)17-25-24(27)18-26(22-16-19(3)14-15-23(22)30-4)31(28,29)21-12-9-8-10-13-21/h8-10,12-16,20H,5-7,11,17-18H2,1-4H3,(H,25,27)
InChIKeyYRIIDVRJZVKTMZ-UHFFFAOYSA-N
XLogP4.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylhexyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133185425
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-ethylhexyl)acetamide
CID 133244646
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 28635265
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide
CID 94844127
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
CID 1210617
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43892934
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30206148
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 1372918
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057674

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide (CID 133244644) is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide?
The InChIKey is YRIIDVRJZVKTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-5-7-11-20(6-2)17-25-24(27)18-26(22-16-19(3)14-15-23(22)30-4)31(28,29)21-12-9-8-10-13-21/h8-10,12-16,20H,5-7,11,17-18H2,1-4H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide?
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide has a molecular weight of 446.61 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 133244644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).