N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide

C21H27NO4S — CID 78814090

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(C(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C21H27NO4S/c1-15(2)21(17-7-9-18(26-4)10-8-17)22-20(23)13-14-27(24,25)19-11-5-16(3)6-12-19/h5-12,15,21H,13-14H2,1-4H3,(H,22,23)
InChIKeyVQDLGXVLRJLYRG-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.68
Rot. Bonds8

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 78814090) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID78814090
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(C(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C21H27NO4S/c1-15(2)21(17-7-9-18(26-4)10-8-17)22-20(23)13-14-27(24,25)19-11-5-16(3)6-12-19/h5-12,15,21H,13-14H2,1-4H3,(H,22,23)
InChIKeyVQDLGXVLRJLYRG-UHFFFAOYSA-N
XLogP3.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 18200681
3-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 97013281
N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117512
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 55579481
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55395310
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119693493
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 78814090) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide is COc1ccc(C(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is VQDLGXVLRJLYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-15(2)21(17-7-9-18(26-4)10-8-17)22-20(23)13-14-27(24,25)19-11-5-16(3)6-12-19/h5-12,15,21H,13-14H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 389.52 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 78814090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).