2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

C16H22N2O3S2 — CID 53057131

IUPAC2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(C)c(S(=O)(=O)NC2CCC(C)CC2)c1-c1ccno1
InChIInChI=1S/C16H22N2O3S2/c1-10-4-6-13(7-5-10)18-23(19,20)16-12(3)22-11(2)15(16)14-8-9-17-21-14/h8-10,13,18H,4-7H2,1-3H3
InChIKeyWZCCPXJMXBISQU-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.88
Rot. Bonds4

About 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057131) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057131
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC Name2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(C)c(S(=O)(=O)NC2CCC(C)CC2)c1-c1ccno1
InChIInChI=1S/C16H22N2O3S2/c1-10-4-6-13(7-5-10)18-23(19,20)16-12(3)22-11(2)15(16)14-8-9-17-21-14/h8-10,13,18H,4-7H2,1-3H3
InChIKeyWZCCPXJMXBISQU-UHFFFAOYSA-N
XLogP3.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide with MolForge

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Related Compounds

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 21039659
2-[(5-Isoxazol-5-yl-2-thienyl)sulfonyl]-2,8-diazaspiro[4.5]decane
CID 56707401
N-[(2,4-difluorophenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 21039667
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53004934
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057124
2,5-dimethyl-N-(2-methylbutan-2-yl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057130
N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057150
2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057157
2,5-dimethyl-4-(1,2-oxazol-5-yl)-N-phenylthiophene-3-sulfonamide
CID 53057159
2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-3-sulfonamide
CID 53057268
4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide
CID 53057322
N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057366

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057131) is 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1sc(C)c(S(=O)(=O)NC2CCC(C)CC2)c1-c1ccno1.
What is the InChIKey of 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is WZCCPXJMXBISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-10-4-6-13(7-5-10)18-23(19,20)16-12(3)22-11(2)15(16)14-8-9-17-21-14/h8-10,13,18H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).