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

C22H30N2O4S — CID 53284231

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1OC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-7-20(22(25)23-19-10-8-9-11-21(19)28-15(2)3)24(29(6,26)27)18-13-12-16(4)17(5)14-18/h8-15,20H,7H2,1-6H3,(H,23,25)
InChIKeyBLEUDQRGKPMTEA-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.27
Rot. Bonds8

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

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide (PubChem CID 53284231) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
PubChem CID53284231
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1OC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-7-20(22(25)23-19-10-8-9-11-21(19)28-15(2)3)24(29(6,26)27)18-13-12-16(4)17(5)14-18/h8-15,20H,7H2,1-6H3,(H,23,25)
InChIKeyBLEUDQRGKPMTEA-UHFFFAOYSA-N
XLogP4.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53282937
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132663846
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
CID 132667588
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132662747
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)butanoyl]amino]benzamide
CID 98055539
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
CID 132667575
2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132662341
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 43905161
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 28637029
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 43886469
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133229549
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126413955

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide (CID 53284231) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide is CCC(C(=O)Nc1ccccc1OC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide?
The InChIKey is BLEUDQRGKPMTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-7-20(22(25)23-19-10-8-9-11-21(19)28-15(2)3)24(29(6,26)27)18-13-12-16(4)17(5)14-18/h8-15,20H,7H2,1-6H3,(H,23,25).
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide?
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide has a molecular weight of 418.56 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 53284231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).