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

C19H25N3O4S2 — CID 25049673

IUPAC3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CCSC3CCCCC3)cc2)no1
InChIInChI=1S/C19H25N3O4S2/c1-14-13-18(21-26-14)22-28(24,25)17-9-7-15(8-10-17)20-19(23)11-12-27-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyVNQFEKZDUSBJOK-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.18
Rot. Bonds8

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

3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (PubChem CID 25049673) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
PubChem CID25049673
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)CCSC3CCCCC3)cc2)no1
InChIInChI=1S/C19H25N3O4S2/c1-14-13-18(21-26-14)22-28(24,25)17-9-7-15(8-10-17)20-19(23)11-12-27-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyVNQFEKZDUSBJOK-UHFFFAOYSA-N
XLogP4.18
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 25046310
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N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
CID 1181036
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25044457
2-methoxyethyl 4-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-4-oxobutanoate
CID 17339082
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2130230
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
3-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 1406358
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
3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 2431427

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (CID 25049673) is 3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCSC3CCCCC3)cc2)no1.
What is the InChIKey of 3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is VNQFEKZDUSBJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-14-13-18(21-26-14)22-28(24,25)17-9-7-15(8-10-17)20-19(23)11-12-27-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 25049673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).