N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide

C21H28N2O4S — CID 92673488

IUPACN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-16(2)14-20(17-10-12-19(27-3)13-11-17)22-21(24)15-23(28(4,25)26)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,22,24)/t20-/m1/s1
InChIKeyWUYHOGDXFZAYIJ-HXUWFJFHSA-N
MW404.53 g/mol
LogP3.36
Rot. Bonds9

About N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide

N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide (PubChem CID 92673488) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide
PubChem CID92673488
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-16(2)14-20(17-10-12-19(27-3)13-11-17)22-21(24)15-23(28(4,25)26)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,22,24)/t20-/m1/s1
InChIKeyWUYHOGDXFZAYIJ-HXUWFJFHSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43915575
2-[N-(dimethylsulfamoyl)anilino]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 99949630
N-[(1S)-3-methyl-1-phenylbutyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 92674290
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94019164
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 46778633
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 94027893
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43916160
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43901953
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 28632707
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46763931
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28572798
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide (CID 92673488) is N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide is COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is WUYHOGDXFZAYIJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16(2)14-20(17-10-12-19(27-3)13-11-17)22-21(24)15-23(28(4,25)26)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,22,24)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide?
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 92673488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).