3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide

C24H30N2O5S2 — CID 55613249

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(CC3CCCO3)C3CCSC3)c2)cc1
InChIInChI=1S/C24H30N2O5S2/c1-25(19-8-10-21(30-2)11-9-19)33(28,29)23-7-3-5-18(15-23)24(27)26(20-12-14-32-17-20)16-22-6-4-13-31-22/h3,5,7-11,15,20,22H,4,6,12-14,16-17H2,1-2H3
InChIKeyNZFYVAHBUXZPOU-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.65
Rot. Bonds8

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide (PubChem CID 55613249) has the molecular formula C24H30N2O5S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
PubChem CID55613249
Molecular FormulaC24H30N2O5S2
Molecular Weight490.65 g/mol
Exact Mass490.16
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(CC3CCCO3)C3CCSC3)c2)cc1
InChIInChI=1S/C24H30N2O5S2/c1-25(19-8-10-21(30-2)11-9-19)33(28,29)23-7-3-5-18(15-23)24(27)26(20-12-14-32-17-20)16-22-6-4-13-31-22/h3,5,7-11,15,20,22H,4,6,12-14,16-17H2,1-2H3
InChIKeyNZFYVAHBUXZPOU-UHFFFAOYSA-N
XLogP3.65
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide (CID 55613249) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(CC3CCCO3)C3CCSC3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide?
The InChIKey is NZFYVAHBUXZPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S2/c1-25(19-8-10-21(30-2)11-9-19)33(28,29)23-7-3-5-18(15-23)24(27)26(20-12-14-32-17-20)16-22-6-4-13-31-22/h3,5,7-11,15,20,22H,4,6,12-14,16-17H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide has a molecular weight of 490.65 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 55613249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).