N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide

C16H18N2O2S — CID 86910684

IUPACN-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
SMILESCOc1cccc(NC(=O)CNc2ccccc2SC)c1
InChIInChI=1S/C16H18N2O2S/c1-20-13-7-5-6-12(10-13)18-16(19)11-17-14-8-3-4-9-15(14)21-2/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyNWJLIVPAMGDLGT-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.47
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide

N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide (PubChem CID 86910684) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
PubChem CID86910684
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
SMILESCOc1cccc(NC(=O)CNc2ccccc2SC)c1
InChIInChI=1S/C16H18N2O2S/c1-20-13-7-5-6-12(10-13)18-16(19)11-17-14-8-3-4-9-15(14)21-2/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyNWJLIVPAMGDLGT-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-(2,5-difluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 28574559
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 22305201
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 35824178
2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43499874
N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide (CID 86910684) is N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide is COc1cccc(NC(=O)CNc2ccccc2SC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide?
The InChIKey is NWJLIVPAMGDLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-13-7-5-6-12(10-13)18-16(19)11-17-14-8-3-4-9-15(14)21-2/h3-10,17H,11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide?
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide is sourced from PubChem (CID 86910684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).