2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide

C22H21NO2S — CID 3419820

IUPAC2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1C
InChIInChI=1S/C22H21NO2S/c1-16-14-17(15-26-18-8-4-3-5-9-18)12-13-20(16)23-22(24)19-10-6-7-11-21(19)25-2/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyOMYWLKUTQNXGFL-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.55
Rot. Bonds6

About 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide

2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (PubChem CID 3419820) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
PubChem CID3419820
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1C
InChIInChI=1S/C22H21NO2S/c1-16-14-17(15-26-18-8-4-3-5-9-18)12-13-20(16)23-22(24)19-10-6-7-11-21(19)25-2/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyOMYWLKUTQNXGFL-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2981252
2-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 1019179
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid
CID 139945309
4-(benzenesulfonamido)-2-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28564551
(2S)-2-(2-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
CID 92676285
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 43881989
4-[methyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126186190
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 99949514

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide (CID 3419820) is 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1C.
What is the InChIKey of 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
The InChIKey is OMYWLKUTQNXGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-14-17(15-26-18-8-4-3-5-9-18)12-13-20(16)23-22(24)19-10-6-7-11-21(19)25-2/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide?
2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide has a molecular weight of 363.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 3419820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).