2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

C22H30N2O4S — CID 53284131

IUPAC2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1cccc(OC(C)C)c1)N(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-6-21(24(29(5,26)27)19-12-10-17(4)11-13-19)22(25)23-15-18-8-7-9-20(14-18)28-16(2)3/h7-14,16,21H,6,15H2,1-5H3,(H,23,25)
InChIKeyGWYRBRYUHHOCOA-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.64
Rot. Bonds9

About 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 53284131) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID53284131
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1cccc(OC(C)C)c1)N(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-6-21(24(29(5,26)27)19-12-10-17(4)11-13-19)22(25)23-15-18-8-7-9-20(14-18)28-16(2)3/h7-14,16,21H,6,15H2,1-5H3,(H,23,25)
InChIKeyGWYRBRYUHHOCOA-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53282926
2-(4-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43909120
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 132670191
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53284156
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
N-[(3-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide
CID 53282957
2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132662341
2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 53288409
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]butanamide
CID 132663369
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99133296
N-[(3-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132670537
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide
CID 132662287

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (CID 53284131) is 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is CCC(C(=O)NCc1cccc(OC(C)C)c1)N(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is GWYRBRYUHHOCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-21(24(29(5,26)27)19-12-10-17(4)11-13-19)22(25)23-15-18-8-7-9-20(14-18)28-16(2)3/h7-14,16,21H,6,15H2,1-5H3,(H,23,25).
What are the key properties of 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 418.56 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 53284131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).