N-phenyl-3-(sulfanylmethyl)benzamide

C14H13NOS — CID 18007783

IUPACN-phenyl-3-(sulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(CS)c1
InChIInChI=1S/C14H13NOS/c16-14(15-13-7-2-1-3-8-13)12-6-4-5-11(9-12)10-17/h1-9,17H,10H2,(H,15,16)
InChIKeyIDFCKDWOFXLMHG-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.37
Rot. Bonds3

About N-phenyl-3-(sulfanylmethyl)benzamide

N-phenyl-3-(sulfanylmethyl)benzamide (PubChem CID 18007783) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is N-phenyl-3-(sulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-phenyl-3-(sulfanylmethyl)benzamide
PubChem CID18007783
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC NameN-phenyl-3-(sulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(CS)c1
InChIInChI=1S/C14H13NOS/c16-14(15-13-7-2-1-3-8-13)12-6-4-5-11(9-12)10-17/h1-9,17H,10H2,(H,15,16)
InChIKeyIDFCKDWOFXLMHG-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.37
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-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
N-phenyl-3-(2-phenylacetyl)benzamide
CID 162068879
[3-(phenylcarbamoyl)phenyl]methyl nitrate
CID 56673410
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
N-[3-(2-hydroxyethyl)phenyl]benzamide
CID 139896443
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 146143912
3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
CID 43477757
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(sulfanylmethyl)benzamide?
The IUPAC name of N-phenyl-3-(sulfanylmethyl)benzamide (CID 18007783) is N-phenyl-3-(sulfanylmethyl)benzamide.
What is the SMILES notation for N-phenyl-3-(sulfanylmethyl)benzamide?
The canonical SMILES for N-phenyl-3-(sulfanylmethyl)benzamide is O=C(Nc1ccccc1)c1cccc(CS)c1.
What is the InChIKey of N-phenyl-3-(sulfanylmethyl)benzamide?
The InChIKey is IDFCKDWOFXLMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c16-14(15-13-7-2-1-3-8-13)12-6-4-5-11(9-12)10-17/h1-9,17H,10H2,(H,15,16).
What are the key properties of N-phenyl-3-(sulfanylmethyl)benzamide?
N-phenyl-3-(sulfanylmethyl)benzamide has a molecular weight of 243.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(sulfanylmethyl)benzamide is sourced from PubChem (CID 18007783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).