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

C23H33N3O4S — CID 124772270

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H33N3O4S/c1-15(2)19-10-12-20(13-11-19)26(31(28,29)23-17(4)25-30-18(23)5)14-22(27)24-21-9-7-6-8-16(21)3/h10-13,15-16,21H,6-9,14H2,1-5H3,(H,24,27)/t16-,21-/m1/s1
InChIKeySPZOQUJYRVKMDT-IIBYNOLFSA-N
MW447.60 g/mol
LogP4.31
Rot. Bonds7

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 124772270) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID124772270
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H33N3O4S/c1-15(2)19-10-12-20(13-11-19)26(31(28,29)23-17(4)25-30-18(23)5)14-22(27)24-21-9-7-6-8-16(21)3/h10-13,15-16,21H,6-9,14H2,1-5H3,(H,24,27)/t16-,21-/m1/s1
InChIKeySPZOQUJYRVKMDT-IIBYNOLFSA-N
XLogP4.31
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 124772270) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is Cc1noc(C)c1S(=O)(=O)N(CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is SPZOQUJYRVKMDT-IIBYNOLFSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-15(2)19-10-12-20(13-11-19)26(31(28,29)23-17(4)25-30-18(23)5)14-22(27)24-21-9-7-6-8-16(21)3/h10-13,15-16,21H,6-9,14H2,1-5H3,(H,24,27)/t16-,21-/m1/s1.
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 447.60 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 124772270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).