N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide

C23H33N3O5S — CID 5309294

IUPACN-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCC(C)C2C)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H33N3O5S/c1-6-30-20-12-10-19(11-13-20)26(32(28,29)23-17(4)25-31-18(23)5)14-22(27)24-21-9-7-8-15(2)16(21)3/h10-13,15-16,21H,6-9,14H2,1-5H3,(H,24,27)
InChIKeyPTTIJCQFKXSLLL-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.83
Rot. Bonds8

About N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide

N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide (PubChem CID 5309294) has the molecular formula C23H33N3O5S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
PubChem CID5309294
Molecular FormulaC23H33N3O5S
Molecular Weight463.60 g/mol
Exact Mass463.21
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCC(C)C2C)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H33N3O5S/c1-6-30-20-12-10-19(11-13-20)26(32(28,29)23-17(4)25-31-18(23)5)14-22(27)24-21-9-7-8-15(2)16(21)3/h10-13,15-16,21H,6-9,14H2,1-5H3,(H,24,27)
InChIKeyPTTIJCQFKXSLLL-UHFFFAOYSA-N
XLogP3.83
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide with MolForge

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Related Compounds

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 129425038
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 124772270
N-butan-2-yl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
CID 5308324
N-(2,3-dimethylcyclohexyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 46539815
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)acetamide
CID 4656031
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 3142639
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 11901576
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 98215417
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124737979
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 98232142
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[2-(4-ethoxyphenoxy)acetyl]amino]thiourea
CID 11946390

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide (CID 5309294) is N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide is CCOc1ccc(N(CC(=O)NC2CCCC(C)C2C)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
The InChIKey is PTTIJCQFKXSLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5S/c1-6-30-20-12-10-19(11-13-20)26(32(28,29)23-17(4)25-31-18(23)5)14-22(27)24-21-9-7-8-15(2)16(21)3/h10-13,15-16,21H,6-9,14H2,1-5H3,(H,24,27).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide has a molecular weight of 463.60 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide is sourced from PubChem (CID 5309294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).