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

C21H29N3O4S — CID 20855679

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2C)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H29N3O4S/c1-14-9-11-18(12-10-14)24(29(26,27)21-16(3)23-28-17(21)4)13-20(25)22-19-8-6-5-7-15(19)2/h9-12,15,19H,5-8,13H2,1-4H3,(H,22,25)
InChIKeyJNJHCSKHAUYIJC-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.49
Rot. Bonds6

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 20855679) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide
PubChem CID20855679
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2C)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H29N3O4S/c1-14-9-11-18(12-10-14)24(29(26,27)21-16(3)23-28-17(21)4)13-20(25)22-19-8-6-5-7-15(19)2/h9-12,15,19H,5-8,13H2,1-4H3,(H,22,25)
InChIKeyJNJHCSKHAUYIJC-UHFFFAOYSA-N
XLogP3.49
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide (CID 20855679) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide is Cc1ccc(N(CC(=O)NC2CCCCC2C)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is JNJHCSKHAUYIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-14-9-11-18(12-10-14)24(29(26,27)21-16(3)23-28-17(21)4)13-20(25)22-19-8-6-5-7-15(19)2/h9-12,15,19H,5-8,13H2,1-4H3,(H,22,25).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.49, 6 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-methylanilino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 20855679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).