4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide

C22H30N2O4S — CID 53286884

IUPAC4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
SMILESCc1cccc(N(CCCC(=O)Nc2ccccc2OC(C)C)S(C)(=O)=O)c1C
InChIInChI=1S/C22H30N2O4S/c1-16(2)28-21-13-7-6-11-19(21)23-22(25)14-9-15-24(29(5,26)27)20-12-8-10-17(3)18(20)4/h6-8,10-13,16H,9,14-15H2,1-5H3,(H,23,25)
InChIKeyVXCHYRJUQLZTLW-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.28
Rot. Bonds9

About 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide

4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide (PubChem CID 53286884) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
PubChem CID53286884
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
SMILESCc1cccc(N(CCCC(=O)Nc2ccccc2OC(C)C)S(C)(=O)=O)c1C
InChIInChI=1S/C22H30N2O4S/c1-16(2)28-21-13-7-6-11-19(21)23-22(25)14-9-15-24(29(5,26)27)20-12-8-10-17(3)18(20)4/h6-8,10-13,16H,9,14-15H2,1-5H3,(H,23,25)
InChIKeyVXCHYRJUQLZTLW-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
N-tert-butyl-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100512833
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133187595
3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113141978
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286851
N-(3,4-dimethoxyphenyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 53286543
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
N-[3-(dimethylamino)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100727714
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 53286646
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132422

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide (CID 53286884) is 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide is Cc1cccc(N(CCCC(=O)Nc2ccccc2OC(C)C)S(C)(=O)=O)c1C.
What is the InChIKey of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide?
The InChIKey is VXCHYRJUQLZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16(2)28-21-13-7-6-11-19(21)23-22(25)14-9-15-24(29(5,26)27)20-12-8-10-17(3)18(20)4/h6-8,10-13,16H,9,14-15H2,1-5H3,(H,23,25).
What are the key properties of 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide?
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide has a molecular weight of 418.56 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 53286884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).