2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

C21H19NOS2 — CID 2233430

IUPAC2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H19NOS2/c1-24-20-10-6-5-9-19(20)21(23)22-17-13-11-16(12-14-17)15-25-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyDZOYSDLKICSOGR-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.95
Rot. Bonds6

About 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide (PubChem CID 2233430) has the molecular formula C21H19NOS2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
PubChem CID2233430
Molecular FormulaC21H19NOS2
Molecular Weight365.52 g/mol
Exact Mass365.09
IUPAC Name2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H19NOS2/c1-24-20-10-6-5-9-19(20)21(23)22-17-13-11-16(12-14-17)15-25-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyDZOYSDLKICSOGR-UHFFFAOYSA-N
XLogP5.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
N-[4-(cyanomethyl)phenyl]-2-methylsulfanylbenzamide
CID 2229918
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-(4-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112759144
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
2-[[4-[(2-fluorophenyl)methylsulfanyl]phenyl]carbamoyl]benzoic acid
CID 22784520
1-phenyl-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 1316504

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide (CID 2233430) is 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide is CSc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The InChIKey is DZOYSDLKICSOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS2/c1-24-20-10-6-5-9-19(20)21(23)22-17-13-11-16(12-14-17)15-25-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide has a molecular weight of 365.52 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 2233430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).