N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide

C20H23N3O5S2 — CID 17352591

IUPACN-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1SCC(=O)N1CCOCC1
InChIInChI=1S/C20H23N3O5S2/c1-14-6-7-15(30(21,26)27)12-17(14)22-20(25)16-4-2-3-5-18(16)29-13-19(24)23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyAWQPVGUBUDAJOG-UHFFFAOYSA-N
MW449.55 g/mol
LogP1.85
Rot. Bonds6

About N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide

N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide (PubChem CID 17352591) has the molecular formula C20H23N3O5S2 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide
PubChem CID17352591
Molecular FormulaC20H23N3O5S2
Molecular Weight449.55 g/mol
Exact Mass449.11
IUPAC NameN-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1SCC(=O)N1CCOCC1
InChIInChI=1S/C20H23N3O5S2/c1-14-6-7-15(30(21,26)27)12-17(14)22-20(25)16-4-2-3-5-18(16)29-13-19(24)23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyAWQPVGUBUDAJOG-UHFFFAOYSA-N
XLogP1.85
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide?
The IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide (CID 17352591) is N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide.
What is the SMILES notation for N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide?
The canonical SMILES for N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1SCC(=O)N1CCOCC1.
What is the InChIKey of N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide?
The InChIKey is AWQPVGUBUDAJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S2/c1-14-6-7-15(30(21,26)27)12-17(14)22-20(25)16-4-2-3-5-18(16)29-13-19(24)23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H2,21,26,27).
What are the key properties of N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide?
N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide has a molecular weight of 449.55 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-sulfamoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzamide is sourced from PubChem (CID 17352591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).