N-[4-(sulfanylmethyl)phenyl]benzamide

C14H13NOS — CID 130322927

IUPACN-[4-(sulfanylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CS)cc1)c1ccccc1
InChIInChI=1S/C14H13NOS/c16-14(12-4-2-1-3-5-12)15-13-8-6-11(10-17)7-9-13/h1-9,17H,10H2,(H,15,16)
InChIKeyBPYLMSJZNCALJJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.37
Rot. Bonds3

About N-[4-(sulfanylmethyl)phenyl]benzamide

N-[4-(sulfanylmethyl)phenyl]benzamide (PubChem CID 130322927) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[4-(sulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(sulfanylmethyl)phenyl]benzamide
PubChem CID130322927
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC NameN-[4-(sulfanylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CS)cc1)c1ccccc1
InChIInChI=1S/C14H13NOS/c16-14(12-4-2-1-3-5-12)15-13-8-6-11(10-17)7-9-13/h1-9,17H,10H2,(H,15,16)
InChIKeyBPYLMSJZNCALJJ-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

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(4-benzamidophenyl)carbamic acid
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N-[4-(phenylcarbamothioylamino)phenyl]benzamide
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N-[4-(4-phenylphenyl)phenyl]benzamide
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N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide
CID 22634902
N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide
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CID 17340966

Frequently Asked Questions

What is the IUPAC name of N-[4-(sulfanylmethyl)phenyl]benzamide?
The IUPAC name of N-[4-(sulfanylmethyl)phenyl]benzamide (CID 130322927) is N-[4-(sulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(sulfanylmethyl)phenyl]benzamide?
The canonical SMILES for N-[4-(sulfanylmethyl)phenyl]benzamide is O=C(Nc1ccc(CS)cc1)c1ccccc1.
What is the InChIKey of N-[4-(sulfanylmethyl)phenyl]benzamide?
The InChIKey is BPYLMSJZNCALJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c16-14(12-4-2-1-3-5-12)15-13-8-6-11(10-17)7-9-13/h1-9,17H,10H2,(H,15,16).
What are the key properties of N-[4-(sulfanylmethyl)phenyl]benzamide?
N-[4-(sulfanylmethyl)phenyl]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-[4-(sulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 130322927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).