2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide

C21H28N2O4S — CID 132662341

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(OC(C)C)c1)N(c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-6-20(23(28(5,25)26)18-11-7-9-16(4)13-18)21(24)22-17-10-8-12-19(14-17)27-15(2)3/h7-15,20H,6H2,1-5H3,(H,22,24)
InChIKeyZFGLLQGSPCDYHI-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.97
Rot. Bonds8

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

2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide (PubChem CID 132662341) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
PubChem CID132662341
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(OC(C)C)c1)N(c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-6-20(23(28(5,25)26)18-11-7-9-16(4)13-18)21(24)22-17-10-8-12-19(14-17)27-15(2)3/h7-15,20H,6H2,1-5H3,(H,22,24)
InChIKeyZFGLLQGSPCDYHI-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)butanamide
CID 132665009
2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53282903
N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660103
N-(3-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 53284207
4-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 9180922
2-(4-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53284131
N-(2-bromophenyl)-2-(3-methyl-N-methylsulfonylanilino)butanamide
CID 132667710
N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132669279
2-(N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53282926
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 132668305
2-(N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53282937
N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229425

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide (CID 132662341) is 2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide is CCC(C(=O)Nc1cccc(OC(C)C)c1)N(c1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide?
The InChIKey is ZFGLLQGSPCDYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-6-20(23(28(5,25)26)18-11-7-9-16(4)13-18)21(24)22-17-10-8-12-19(14-17)27-15(2)3/h7-15,20H,6H2,1-5H3,(H,22,24).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide?
2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide has a molecular weight of 404.53 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 132662341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).