2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide

C22H29ClN2O3S — CID 94844127

IUPAC2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide
SMILESCCCC[C@@H](CC)CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H29ClN2O3S/c1-3-5-9-18(4-2)16-24-22(26)17-25(20-14-12-19(23)13-15-20)29(27,28)21-10-7-6-8-11-21/h6-8,10-15,18H,3-5,9,16-17H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyLOSCVYBWEIZYSE-GOSISDBHSA-N
MW437.01 g/mol
LogP4.87
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide

2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide (PubChem CID 94844127) has the molecular formula C22H29ClN2O3S and a molecular weight of 437.01 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide
PubChem CID94844127
Molecular FormulaC22H29ClN2O3S
Molecular Weight437.01 g/mol
Exact Mass436.16
IUPAC Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide
SMILESCCCC[C@@H](CC)CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H29ClN2O3S/c1-3-5-9-18(4-2)16-24-22(26)17-25(20-14-12-19(23)13-15-20)29(27,28)21-10-7-6-8-11-21/h6-8,10-15,18H,3-5,9,16-17H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyLOSCVYBWEIZYSE-GOSISDBHSA-N
XLogP4.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-ethylhexyl)acetamide
CID 133244646
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133229095
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-ethylhexyl)acetamide
CID 133244644
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133244931
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185206
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133163859
N-(2-ethylhexyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133185425
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide
CID 133185556
2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185222
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1338503
2-[[2-[N-(benzenesulfonyl)-4-chloroanilino]acetyl]-benzylamino]-N-butylbutanamide
CID 132739893

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide (CID 94844127) is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide is CCCC[C@@H](CC)CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide?
The InChIKey is LOSCVYBWEIZYSE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29ClN2O3S/c1-3-5-9-18(4-2)16-24-22(26)17-25(20-14-12-19(23)13-15-20)29(27,28)21-10-7-6-8-11-21/h6-8,10-15,18H,3-5,9,16-17H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide?
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide has a molecular weight of 437.01 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(2R)-2-ethylhexyl]acetamide is sourced from PubChem (CID 94844127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).