N,N-diphenyl-2-sulfanylbenzamide

C19H15NOS — CID 66851505

IUPACN,N-diphenyl-2-sulfanylbenzamide
SMILESO=C(c1ccccc1S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NOS/c21-19(17-13-7-8-14-18(17)22)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,22H
InChIKeyGOIWFQZTMMWNMA-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.95
Rot. Bonds3

About N,N-diphenyl-2-sulfanylbenzamide

N,N-diphenyl-2-sulfanylbenzamide (PubChem CID 66851505) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is N,N-diphenyl-2-sulfanylbenzamide.

Molecular Properties

Compound NameN,N-diphenyl-2-sulfanylbenzamide
PubChem CID66851505
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC NameN,N-diphenyl-2-sulfanylbenzamide
SMILESO=C(c1ccccc1S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15NOS/c21-19(17-13-7-8-14-18(17)22)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,22H
InChIKeyGOIWFQZTMMWNMA-UHFFFAOYSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-sulfanylbenzamide?
The IUPAC name of N,N-diphenyl-2-sulfanylbenzamide (CID 66851505) is N,N-diphenyl-2-sulfanylbenzamide.
What is the SMILES notation for N,N-diphenyl-2-sulfanylbenzamide?
The canonical SMILES for N,N-diphenyl-2-sulfanylbenzamide is O=C(c1ccccc1S)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-2-sulfanylbenzamide?
The InChIKey is GOIWFQZTMMWNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c21-19(17-13-7-8-14-18(17)22)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,22H.
What are the key properties of N,N-diphenyl-2-sulfanylbenzamide?
N,N-diphenyl-2-sulfanylbenzamide has a molecular weight of 305.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-sulfanylbenzamide is sourced from PubChem (CID 66851505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).