2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide

C22H24N4O4S2 — CID 55498032

IUPAC2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C22H24N4O4S2/c1-16-3-8-19(32(28,29)26-11-13-30-14-12-26)15-20(16)21(27)24-17-4-6-18(7-5-17)31-22-23-9-10-25(22)2/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyNMFYLKHFJQCQHN-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.15
Rot. Bonds6

About 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide

2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55498032) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55498032
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC Name2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Sc2nccn2C)cc1
InChIInChI=1S/C22H24N4O4S2/c1-16-3-8-19(32(28,29)26-11-13-30-14-12-26)15-20(16)21(27)24-17-4-6-18(7-5-17)31-22-23-9-10-25(22)2/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyNMFYLKHFJQCQHN-UHFFFAOYSA-N
XLogP3.15
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55962001
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 7638250
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41041499
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2331045

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide (CID 55498032) is 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Sc2nccn2C)cc1.
What is the InChIKey of 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NMFYLKHFJQCQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-16-3-8-19(32(28,29)26-11-13-30-14-12-26)15-20(16)21(27)24-17-4-6-18(7-5-17)31-22-23-9-10-25(22)2/h3-10,15H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55498032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).