N-benzyl-2-(2-methylsulfanylanilino)acetamide

C16H18N2OS — CID 51252968

IUPACN-benzyl-2-(2-methylsulfanylanilino)acetamide
SMILESCSc1ccccc1NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-20-15-10-6-5-9-14(15)17-12-16(19)18-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,18,19)
InChIKeyPMKIQGLWIKIXDD-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.14
Rot. Bonds6

About N-benzyl-2-(2-methylsulfanylanilino)acetamide

N-benzyl-2-(2-methylsulfanylanilino)acetamide (PubChem CID 51252968) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-benzyl-2-(2-methylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methylsulfanylanilino)acetamide
PubChem CID51252968
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-benzyl-2-(2-methylsulfanylanilino)acetamide
SMILESCSc1ccccc1NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-20-15-10-6-5-9-14(15)17-12-16(19)18-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,18,19)
InChIKeyPMKIQGLWIKIXDD-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
N-benzyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815218
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 55918836
(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide
CID 94652235
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33161602
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 86910700
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylsulfanylanilino)acetamide?
The IUPAC name of N-benzyl-2-(2-methylsulfanylanilino)acetamide (CID 51252968) is N-benzyl-2-(2-methylsulfanylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(2-methylsulfanylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(2-methylsulfanylanilino)acetamide is CSc1ccccc1NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-methylsulfanylanilino)acetamide?
The InChIKey is PMKIQGLWIKIXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-20-15-10-6-5-9-14(15)17-12-16(19)18-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,18,19).
What are the key properties of N-benzyl-2-(2-methylsulfanylanilino)acetamide?
N-benzyl-2-(2-methylsulfanylanilino)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylsulfanylanilino)acetamide is sourced from PubChem (CID 51252968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).