2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide

C16H17ClN2OS — CID 106816431

IUPAC2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
SMILESCc1ccc(CNc2ccccc2SCC(N)=O)cc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-11-6-7-12(8-13(11)17)9-19-14-4-2-3-5-15(14)21-10-16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyJIGSARMYXJJLFK-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.84
Rot. Bonds6

About 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide

2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide (PubChem CID 106816431) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
PubChem CID106816431
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
SMILESCc1ccc(CNc2ccccc2SCC(N)=O)cc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-11-6-7-12(8-13(11)17)9-19-14-4-2-3-5-15(14)21-10-16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyJIGSARMYXJJLFK-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 63047090
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231940
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 102833084
N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
CID 106816010
2-[2-[(5-nitrothiophen-3-yl)methylamino]phenyl]sulfanylacetamide
CID 60810588
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 43231952
2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 62747638
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 9041896

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide (CID 106816431) is 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide is Cc1ccc(CNc2ccccc2SCC(N)=O)cc1Cl.
What is the InChIKey of 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is JIGSARMYXJJLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-11-6-7-12(8-13(11)17)9-19-14-4-2-3-5-15(14)21-10-16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20).
What are the key properties of 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 320.85 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 106816431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).