N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide

C22H38N2O4S — CID 133202046

IUPACN-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
SMILESCCCCC(CC)CNC(=O)CCCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H38N2O4S/c1-6-8-10-19(7-2)17-23-22(25)11-9-16-24(29(5,26)27)20-12-14-21(15-13-20)28-18(3)4/h12-15,18-19H,6-11,16-17H2,1-5H3,(H,23,25)
InChIKeyVWJRWTLUUGHCSN-UHFFFAOYSA-N
MW426.62 g/mol
LogP4.35
Rot. Bonds14

About N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide

N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide (PubChem CID 133202046) has the molecular formula C22H38N2O4S and a molecular weight of 426.62 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
PubChem CID133202046
Molecular FormulaC22H38N2O4S
Molecular Weight426.62 g/mol
Exact Mass426.26
IUPAC NameN-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
SMILESCCCCC(CC)CNC(=O)CCCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H38N2O4S/c1-6-8-10-19(7-2)17-23-22(25)11-9-16-24(29(5,26)27)20-12-14-21(15-13-20)28-18(3)4/h12-15,18-19H,6-11,16-17H2,1-5H3,(H,23,25)
InChIKeyVWJRWTLUUGHCSN-UHFFFAOYSA-N
XLogP4.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.62
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)butanamide
CID 133218550
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylhexyl)butanamide
CID 133202028
4-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)butanamide
CID 133200434
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
CID 113145049
N-(2-ethylhexyl)-4-(N-methylsulfonyl-2-propan-2-ylanilino)butanamide
CID 133200489
4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
CID 113145047
(2S)-N-[(2S)-2-ethylhexyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 125064427
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133163859
N-(2-ethylhexyl)-4-(N-methylsulfonyl-2-phenylsulfanylanilino)butanamide
CID 133202011
N-(cyclohexen-1-ylmethyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 100501784
N-(2-ethylhexyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133185231

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide?
The IUPAC name of N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide (CID 133202046) is N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide?
The canonical SMILES for N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide is CCCCC(CC)CNC(=O)CCCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide?
The InChIKey is VWJRWTLUUGHCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O4S/c1-6-8-10-19(7-2)17-23-22(25)11-9-16-24(29(5,26)27)20-12-14-21(15-13-20)28-18(3)4/h12-15,18-19H,6-11,16-17H2,1-5H3,(H,23,25).
What are the key properties of N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide?
N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide has a molecular weight of 426.62 g/mol, XLogP of 4.35, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide is sourced from PubChem (CID 133202046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).