4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide

C22H28N2O5S2 — CID 30725240

IUPAC4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1
InChIInChI=1S/C22H28N2O5S2/c1-16(2)29-21-9-8-19(31(26,27)24-10-12-28-13-11-24)14-20(21)23-22(25)18-6-4-17(5-7-18)15-30-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyCBBXDJUAESEKLB-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.61
Rot. Bonds8

About 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide

4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide (PubChem CID 30725240) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
PubChem CID30725240
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC Name4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1
InChIInChI=1S/C22H28N2O5S2/c1-16(2)29-21-9-8-19(31(26,27)24-10-12-28-13-11-24)14-20(21)23-22(25)18-6-4-17(5-7-18)15-30-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyCBBXDJUAESEKLB-UHFFFAOYSA-N
XLogP3.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
CID 4849775
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55684681
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55686826
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24555330
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 5110890
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 4789512
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide (CID 30725240) is 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide is CSCc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide?
The InChIKey is CBBXDJUAESEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c1-16(2)29-21-9-8-19(31(26,27)24-10-12-28-13-11-24)14-20(21)23-22(25)18-6-4-17(5-7-18)15-30-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide?
4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide has a molecular weight of 464.61 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 30725240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).