N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide

C15H16N2OS — CID 62910785

IUPACN-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C15H16N2OS/c1-10-3-6-14(9-15(10)16)19-13-7-4-12(5-8-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyUPCYRMFOJPRILN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.69
Rot. Bonds3

About N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide

N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide (PubChem CID 62910785) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
PubChem CID62910785
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C15H16N2OS/c1-10-3-6-14(9-15(10)16)19-13-7-4-12(5-8-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyUPCYRMFOJPRILN-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 79825462
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
CID 43699005
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide
CID 17488047
N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
CID 63600011
4-acetamido-N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]benzamide
CID 67040240
[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] propanoate
CID 7851395
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-methoxyacetate
CID 8018940
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 18208060
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80893591

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide (CID 62910785) is N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ccc(C)c(N)c2)cc1.
What is the InChIKey of N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide?
The InChIKey is UPCYRMFOJPRILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-3-6-14(9-15(10)16)19-13-7-4-12(5-8-13)17-11(2)18/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide?
N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide has a molecular weight of 272.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 62910785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).