N-(2-methoxyphenyl)-4-sulfanylbenzamide

C14H13NO2S — CID 107019826

IUPACN-(2-methoxyphenyl)-4-sulfanylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H13NO2S/c1-17-13-5-3-2-4-12(13)15-14(16)10-6-8-11(18)9-7-10/h2-9,18H,1H3,(H,15,16)
InChIKeyWCWXCOSVWOHYIB-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.24
Rot. Bonds3

About N-(2-methoxyphenyl)-4-sulfanylbenzamide

N-(2-methoxyphenyl)-4-sulfanylbenzamide (PubChem CID 107019826) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-sulfanylbenzamide
PubChem CID107019826
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC NameN-(2-methoxyphenyl)-4-sulfanylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H13NO2S/c1-17-13-5-3-2-4-12(13)15-14(16)10-6-8-11(18)9-7-10/h2-9,18H,1H3,(H,15,16)
InChIKeyWCWXCOSVWOHYIB-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
CID 107025880
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
N-(2-iodophenyl)-4-sulfanylbenzamide
CID 107022140
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-sulfanylbenzamide (CID 107019826) is N-(2-methoxyphenyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-sulfanylbenzamide is COc1ccccc1NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-sulfanylbenzamide?
The InChIKey is WCWXCOSVWOHYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-17-13-5-3-2-4-12(13)15-14(16)10-6-8-11(18)9-7-10/h2-9,18H,1H3,(H,15,16).
What are the key properties of N-(2-methoxyphenyl)-4-sulfanylbenzamide?
N-(2-methoxyphenyl)-4-sulfanylbenzamide has a molecular weight of 259.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107019826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).