N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide

C16H17NOS2 — CID 28577649

IUPACN-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
SMILESCCSc1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C16H17NOS2/c1-3-20-15-11-7-5-9-13(15)17-16(18)12-8-4-6-10-14(12)19-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyNPPILQNBTZAGJS-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.77
Rot. Bonds5

About N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide

N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide (PubChem CID 28577649) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
PubChem CID28577649
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC NameN-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
SMILESCCSc1ccccc1NC(=O)c1ccccc1SC
InChIInChI=1S/C16H17NOS2/c1-3-20-15-11-7-5-9-13(15)17-16(18)12-8-4-6-10-14(12)19-2/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyNPPILQNBTZAGJS-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide
CID 2996847
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682
2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
CID 115540166
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide
CID 47267896
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658386

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide (CID 28577649) is N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide is CCSc1ccccc1NC(=O)c1ccccc1SC.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is NPPILQNBTZAGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS2/c1-3-20-15-11-7-5-9-13(15)17-16(18)12-8-4-6-10-14(12)19-2/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide?
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide has a molecular weight of 303.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 28577649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).