N-(2-methylsulfanylethyl)-3-phenylbenzamide

C16H17NOS — CID 67213717

IUPACN-(2-methylsulfanylethyl)-3-phenylbenzamide
SMILESCSCCNC(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H17NOS/c1-19-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyWHKJMWMBXKQMSJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.45
Rot. Bonds5

About N-(2-methylsulfanylethyl)-3-phenylbenzamide

N-(2-methylsulfanylethyl)-3-phenylbenzamide (PubChem CID 67213717) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-3-phenylbenzamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-3-phenylbenzamide
PubChem CID67213717
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-(2-methylsulfanylethyl)-3-phenylbenzamide
SMILESCSCCNC(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H17NOS/c1-19-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyWHKJMWMBXKQMSJ-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
CID 58451849
3-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylethyl)benzamide
CID 76996589
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
N'-methyl-3-phenylbenzohydrazide
CID 142295291
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
3-[[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]methyl]-N-propylbenzamide
CID 111345527
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
CID 2274112
2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide
CID 103890422
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide
CID 118788883
3-[[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111345526

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-3-phenylbenzamide?
The IUPAC name of N-(2-methylsulfanylethyl)-3-phenylbenzamide (CID 67213717) is N-(2-methylsulfanylethyl)-3-phenylbenzamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-3-phenylbenzamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-3-phenylbenzamide is CSCCNC(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-(2-methylsulfanylethyl)-3-phenylbenzamide?
The InChIKey is WHKJMWMBXKQMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-19-11-10-17-16(18)15-9-5-8-14(12-15)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,17,18).
What are the key properties of N-(2-methylsulfanylethyl)-3-phenylbenzamide?
N-(2-methylsulfanylethyl)-3-phenylbenzamide has a molecular weight of 271.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-3-phenylbenzamide is sourced from PubChem (CID 67213717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).