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

C24H29N3O6S — CID 3241947

IUPACN-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C24H29N3O6S/c1-6-31-20-12-13-22(32-7-2)21(14-20)25-23(28)15-27(19-10-8-16(3)9-11-19)34(29,30)24-17(4)26-33-18(24)5/h8-14H,6-7,15H2,1-5H3,(H,25,28)
InChIKeyLNEXKSBQIONXNF-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.23
Rot. Bonds10

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

N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide (PubChem CID 3241947) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
PubChem CID3241947
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC NameN-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C24H29N3O6S/c1-6-31-20-12-13-22(32-7-2)21(14-20)25-23(28)15-27(19-10-8-16(3)9-11-19)34(29,30)24-17(4)26-33-18(24)5/h8-14H,6-7,15H2,1-5H3,(H,25,28)
InChIKeyLNEXKSBQIONXNF-UHFFFAOYSA-N
XLogP4.23
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide (CID 3241947) is N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide is CCOc1ccc(OCC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The InChIKey is LNEXKSBQIONXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-6-31-20-12-13-22(32-7-2)21(14-20)25-23(28)15-27(19-10-8-16(3)9-11-19)34(29,30)24-17(4)26-33-18(24)5/h8-14H,6-7,15H2,1-5H3,(H,25,28).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide has a molecular weight of 487.58 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide is sourced from PubChem (CID 3241947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).