N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

C19H23NO4S — CID 4135985

IUPACN-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1
InChIInChI=1S/C19H23NO4S/c1-15-7-9-16(10-8-15)14-25(22,23)12-11-19(21)20-13-17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyDTLNGNFTCQZAGJ-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.62
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 4135985) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID4135985
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1
InChIInChI=1S/C19H23NO4S/c1-15-7-9-16(10-8-15)14-25(22,23)12-11-19(21)20-13-17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyDTLNGNFTCQZAGJ-UHFFFAOYSA-N
XLogP2.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorobenzyl)thio]-N-(3-methoxybenzyl)propanamide
CID 5053730
N-[(2-methoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethenesulfonamido]propanamide
CID 16314228
N-(2-methoxybenzyl)-3-(thien-2-ylsulfonyl)propanamide
CID 3237297
3-(4-Methoxybenzenesulfonyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 4290528
3-(4-methoxyphenyl)sulfonyl-N-[2-(3-methylphenyl)ethyl]propanamide
CID 4290530
2-[(2-methoxyphenyl)methylamino]-N-octylethanesulfonamide
CID 45479979
N-(2-methoxybenzyl)-2-(phenylthio)acetamide
CID 881386
N-((2S,3R)-4-(3-methoxybenzylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(heptan-4-ylsulfonyl)propanamide
CID 44445149
N-[(3-methoxyphenyl)methyl]-4-phenylsulfanylbutanamide
CID 4788720
N-(2-methoxybenzyl)-2-[(4-methylphenyl)sulfanyl]propanamide
CID 2948658
N-(2-methoxybenzyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2991331
N-[(4-methoxyphenyl)methyl]-1,4-dithiane-2-carboxamide
CID 2999482

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 4135985) is N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is COc1ccccc1CNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is DTLNGNFTCQZAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-15-7-9-16(10-8-15)14-25(22,23)12-11-19(21)20-13-17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 361.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4135985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).