2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide

C24H24N2O2S — CID 2205225

IUPAC2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-16-25-24(28)21-10-6-7-11-22(21)26-23(27)19-14-12-18(13-15-19)17-29-20-8-4-3-5-9-20/h3-15H,2,16-17H2,1H3,(H,25,28)(H,26,27)
InChIKeyLGOYIXGNDZPUKQ-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.37
Rot. Bonds8

About 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide

2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide (PubChem CID 2205225) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide
PubChem CID2205225
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-16-25-24(28)21-10-6-7-11-22(21)26-23(27)19-14-12-18(13-15-19)17-29-20-8-4-3-5-9-20/h3-15H,2,16-17H2,1H3,(H,25,28)(H,26,27)
InChIKeyLGOYIXGNDZPUKQ-UHFFFAOYSA-N
XLogP5.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide (CID 2205225) is 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide?
The InChIKey is LGOYIXGNDZPUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-2-16-25-24(28)21-10-6-7-11-22(21)26-23(27)19-14-12-18(13-15-19)17-29-20-8-4-3-5-9-20/h3-15H,2,16-17H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide?
2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide has a molecular weight of 404.54 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 2205225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).