N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide

C20H24N2O4S2 — CID 9183599

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H24N2O4S2/c1-15-6-7-18(13-19(15)28(24,25)22-8-10-26-11-9-22)21-20(23)17-5-3-4-16(12-17)14-27-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,23)
InChIKeyNOLUJDJJJFMQJV-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.13
Rot. Bonds6

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 9183599) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide
PubChem CID9183599
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H24N2O4S2/c1-15-6-7-18(13-19(15)28(24,25)22-8-10-26-11-9-22)21-20(23)17-5-3-4-16(12-17)14-27-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,23)
InChIKeyNOLUJDJJJFMQJV-UHFFFAOYSA-N
XLogP3.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-[3-(methoxymethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 32638427
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4691629
3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 33181811
3-(methoxymethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 9322729
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4849315
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide
CID 9328413
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4162856

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide (CID 9183599) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide is CSCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is NOLUJDJJJFMQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-15-6-7-18(13-19(15)28(24,25)22-8-10-26-11-9-22)21-20(23)17-5-3-4-16(12-17)14-27-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 420.56 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9183599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).