N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide

C19H25NO4S — CID 24719660

IUPACN-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(N(Cc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H25NO4S/c1-14(2)16-8-6-15(7-9-16)13-20(25(5,21)22)17-10-11-18(23-3)19(12-17)24-4/h6-12,14H,13H2,1-5H3
InChIKeyBSZPGLRNEHFNJI-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.79
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide

N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide (PubChem CID 24719660) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide
PubChem CID24719660
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(N(Cc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H25NO4S/c1-14(2)16-8-6-15(7-9-16)13-20(25(5,21)22)17-10-11-18(23-3)19(12-17)24-4/h6-12,14H,13H2,1-5H3
InChIKeyBSZPGLRNEHFNJI-UHFFFAOYSA-N
XLogP3.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 30398853
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 99959166
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 2899601
N-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 46022543
(2S)-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100665672
2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132680721
N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
2-[(4-bromophenyl)methyl-[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 132625674
4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 100500514
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43888474

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide (CID 24719660) is N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide is COc1ccc(N(Cc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide?
The InChIKey is BSZPGLRNEHFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-14(2)16-8-6-15(7-9-16)13-20(25(5,21)22)17-10-11-18(23-3)19(12-17)24-4/h6-12,14H,13H2,1-5H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide?
N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 24719660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).