2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

C18H23N3O4S2 — CID 25046310

IUPAC2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CSC3CCCCC3)cc2)no1
InChIInChI=1S/C18H23N3O4S2/c1-13-11-17(20-25-13)21-27(23,24)16-9-7-14(8-10-16)19-18(22)12-26-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyWJTYCHMECWVTOV-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.79
Rot. Bonds7

About 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 25046310) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID25046310
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Name2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CSC3CCCCC3)cc2)no1
InChIInChI=1S/C18H23N3O4S2/c1-13-11-17(20-25-13)21-27(23,24)16-9-7-14(8-10-16)19-18(22)12-26-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyWJTYCHMECWVTOV-UHFFFAOYSA-N
XLogP3.79
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 25049673
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
CID 1181036
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2130230
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
2,2,3,3-tetramethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 25035324
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4821142
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-naphthalen-2-ylacetamide
CID 53255376
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (CID 25046310) is 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSC3CCCCC3)cc2)no1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is WJTYCHMECWVTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-13-11-17(20-25-13)21-27(23,24)16-9-7-14(8-10-16)19-18(22)12-26-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 25046310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).