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

C22H31N3O5S — CID 129425038

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@@H]2CCCC[C@H]2C)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H31N3O5S/c1-5-29-19-12-10-18(11-13-19)25(31(27,28)22-16(3)24-30-17(22)4)14-21(26)23-20-9-7-6-8-15(20)2/h10-13,15,20H,5-9,14H2,1-4H3,(H,23,26)/t15-,20-/m1/s1
InChIKeyCNFXJPSXFJUCCA-FOIQADDNSA-N
MW449.57 g/mol
LogP3.58
Rot. Bonds8

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 129425038) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID129425038
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCCOc1ccc(N(CC(=O)N[C@@H]2CCCC[C@H]2C)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H31N3O5S/c1-5-29-19-12-10-18(11-13-19)25(31(27,28)22-16(3)24-30-17(22)4)14-21(26)23-20-9-7-6-8-15(20)2/h10-13,15,20H,5-9,14H2,1-4H3,(H,23,26)/t15-,20-/m1/s1
InChIKeyCNFXJPSXFJUCCA-FOIQADDNSA-N
XLogP3.58
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
CID 5309294
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-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 20858922
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 18529922
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)acetamide
CID 4656031
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 3142639
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 98215417
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 18159331
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 98232142
2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 25479687

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 129425038) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is CCOc1ccc(N(CC(=O)N[C@@H]2CCCC[C@H]2C)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is CNFXJPSXFJUCCA-FOIQADDNSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-5-29-19-12-10-18(11-13-19)25(31(27,28)22-16(3)24-30-17(22)4)14-21(26)23-20-9-7-6-8-15(20)2/h10-13,15,20H,5-9,14H2,1-4H3,(H,23,26)/t15-,20-/m1/s1.
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 449.57 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 129425038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).