N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide

C16H17NOS — CID 107019746

IUPACN-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C16H17NOS/c1-3-12-6-4-5-11(2)15(12)17-16(18)13-7-9-14(19)10-8-13/h4-10,19H,3H2,1-2H3,(H,17,18)
InChIKeySHFOYFKEOGFJPN-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.10
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide

N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide (PubChem CID 107019746) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
PubChem CID107019746
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C16H17NOS/c1-3-12-6-4-5-11(2)15(12)17-16(18)13-7-9-14(19)10-8-13/h4-10,19H,3H2,1-2H3,(H,17,18)
InChIKeySHFOYFKEOGFJPN-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 82179459
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide (CID 107019746) is N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide is CCc1cccc(C)c1NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide?
The InChIKey is SHFOYFKEOGFJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-3-12-6-4-5-11(2)15(12)17-16(18)13-7-9-14(19)10-8-13/h4-10,19H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide?
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide has a molecular weight of 271.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107019746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).