4-(4-carbamoylphenyl)sulfanylbenzamide

C14H12N2O2S — CID 144930841

IUPAC4-(4-carbamoylphenyl)sulfanylbenzamide
SMILESNC(=O)c1ccc(Sc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C14H12N2O2S/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKeyPOINDLLLBVKENC-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.04
Rot. Bonds4

About 4-(4-carbamoylphenyl)sulfanylbenzamide

4-(4-carbamoylphenyl)sulfanylbenzamide (PubChem CID 144930841) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(4-carbamoylphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name4-(4-carbamoylphenyl)sulfanylbenzamide
PubChem CID144930841
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-(4-carbamoylphenyl)sulfanylbenzamide
SMILESNC(=O)c1ccc(Sc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C14H12N2O2S/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKeyPOINDLLLBVKENC-UHFFFAOYSA-N
XLogP2.04
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylphenyl)sulfanylbenzamide?
The IUPAC name of 4-(4-carbamoylphenyl)sulfanylbenzamide (CID 144930841) is 4-(4-carbamoylphenyl)sulfanylbenzamide.
What is the SMILES notation for 4-(4-carbamoylphenyl)sulfanylbenzamide?
The canonical SMILES for 4-(4-carbamoylphenyl)sulfanylbenzamide is NC(=O)c1ccc(Sc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-(4-carbamoylphenyl)sulfanylbenzamide?
The InChIKey is POINDLLLBVKENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18).
What are the key properties of 4-(4-carbamoylphenyl)sulfanylbenzamide?
4-(4-carbamoylphenyl)sulfanylbenzamide has a molecular weight of 272.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylphenyl)sulfanylbenzamide is sourced from PubChem (CID 144930841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).