2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide

C20H24N2O3S — CID 2208300

IUPAC2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-12-21-20(24)17-6-4-5-7-18(17)22-19(23)14-26-13-15-8-10-16(25-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLQVGHXCIUTYEEZ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.71
Rot. Bonds9

About 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide

2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide (PubChem CID 2208300) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
PubChem CID2208300
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-12-21-20(24)17-6-4-5-7-18(17)22-19(23)14-26-13-15-8-10-16(25-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLQVGHXCIUTYEEZ-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide (CID 2208300) is 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1.
What is the InChIKey of 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide?
The InChIKey is LQVGHXCIUTYEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-12-21-20(24)17-6-4-5-7-18(17)22-19(23)14-26-13-15-8-10-16(25-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide?
2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 2208300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).