2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide

C15H16N2OS — CID 70625884

IUPAC2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CN)cc2)cc1
InChIInChI=1S/C15H16N2OS/c1-11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)17-15(18)10-16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyPBEZUXKOCPOBNS-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.04
Rot. Bonds4

About 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide

2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide (PubChem CID 70625884) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide
PubChem CID70625884
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CN)cc2)cc1
InChIInChI=1S/C15H16N2OS/c1-11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)17-15(18)10-16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyPBEZUXKOCPOBNS-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
2-amino-N-(6-methylnaphthalen-2-yl)acetamide
CID 115151559
(3,3-dimethyl-2-oxobutyl) 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate
CID 5165023
[2-(4-methylphenyl)-2-oxoethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate
CID 3638806
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
2-chloro-N-(4-phenylsulfanylphenyl)acetamide
CID 12734393
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide (CID 70625884) is 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide is Cc1ccc(Sc2ccc(NC(=O)CN)cc2)cc1.
What is the InChIKey of 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide?
The InChIKey is PBEZUXKOCPOBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)17-15(18)10-16/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide?
2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide has a molecular weight of 272.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 70625884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).