2-(3-phenylsulfanylpropanoylamino)benzamide

C16H16N2O2S — CID 3701651

IUPAC2-(3-phenylsulfanylpropanoylamino)benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCSc1ccccc1
InChIInChI=1S/C16H16N2O2S/c17-16(20)13-8-4-5-9-14(13)18-15(19)10-11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)(H,18,19)
InChIKeyJTHFTUNLHSVSOX-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.91
Rot. Bonds6

About 2-(3-phenylsulfanylpropanoylamino)benzamide

2-(3-phenylsulfanylpropanoylamino)benzamide (PubChem CID 3701651) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(3-phenylsulfanylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-(3-phenylsulfanylpropanoylamino)benzamide
PubChem CID3701651
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-(3-phenylsulfanylpropanoylamino)benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCSc1ccccc1
InChIInChI=1S/C16H16N2O2S/c17-16(20)13-8-4-5-9-14(13)18-15(19)10-11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)(H,18,19)
InChIKeyJTHFTUNLHSVSOX-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylsulfanylpropanoylamino)benzamide?
The IUPAC name of 2-(3-phenylsulfanylpropanoylamino)benzamide (CID 3701651) is 2-(3-phenylsulfanylpropanoylamino)benzamide.
What is the SMILES notation for 2-(3-phenylsulfanylpropanoylamino)benzamide?
The canonical SMILES for 2-(3-phenylsulfanylpropanoylamino)benzamide is NC(=O)c1ccccc1NC(=O)CCSc1ccccc1.
What is the InChIKey of 2-(3-phenylsulfanylpropanoylamino)benzamide?
The InChIKey is JTHFTUNLHSVSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c17-16(20)13-8-4-5-9-14(13)18-15(19)10-11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)(H,18,19).
What are the key properties of 2-(3-phenylsulfanylpropanoylamino)benzamide?
2-(3-phenylsulfanylpropanoylamino)benzamide has a molecular weight of 300.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylsulfanylpropanoylamino)benzamide is sourced from PubChem (CID 3701651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).