2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide

C22H25N3O4S2 — CID 16539548

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C22H25N3O4S2/c1-25(16-9-3-2-4-10-16)31(27,28)20-14-8-6-12-18(20)23-21(26)15-30-22-24-17-11-5-7-13-19(17)29-22/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,23,26)
InChIKeyVKQSFNNZIYNSMJ-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.51
Rot. Bonds7

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide (PubChem CID 16539548) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
PubChem CID16539548
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C22H25N3O4S2/c1-25(16-9-3-2-4-10-16)31(27,28)20-14-8-6-12-18(20)23-21(26)15-30-22-24-17-11-5-7-13-19(17)29-22/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,23,26)
InChIKeyVKQSFNNZIYNSMJ-UHFFFAOYSA-N
XLogP4.51
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 112829072
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 890231
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-1-cyclohexylethylideneamino]acetamide
CID 94844741
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 1140841
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 38114418
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide
CID 596702
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4005742
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
CID 39975084
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9438955
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[2-[4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetamide
CID 17324972
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide
CID 9006473

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide (CID 16539548) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide is CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide?
The InChIKey is VKQSFNNZIYNSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-25(16-9-3-2-4-10-16)31(27,28)20-14-8-6-12-18(20)23-21(26)15-30-22-24-17-11-5-7-13-19(17)29-22/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,23,26).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16539548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).