N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide

C24H29N3O5S — CID 53000124

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(OC)cc3)S2(=O)=O)c(C)c1
InChIInChI=1S/C24H29N3O5S/c1-6-26(7-2)19-10-13-21(16(3)14-19)25-22(28)15-27-24(29)17(4)23(33(27,30)31)18-8-11-20(32-5)12-9-18/h8-14H,6-7,15H2,1-5H3,(H,25,28)
InChIKeyNDSKEKRORGORFE-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.39
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide (PubChem CID 53000124) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
PubChem CID53000124
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(OC)cc3)S2(=O)=O)c(C)c1
InChIInChI=1S/C24H29N3O5S/c1-6-26(7-2)19-10-13-21(16(3)14-19)25-22(28)15-27-24(29)17(4)23(33(27,30)31)18-8-11-20(32-5)12-9-18/h8-14H,6-7,15H2,1-5H3,(H,25,28)
InChIKeyNDSKEKRORGORFE-UHFFFAOYSA-N
XLogP3.39
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide (CID 53000124) is N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide is CCN(CC)c1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(OC)cc3)S2(=O)=O)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
The InChIKey is NDSKEKRORGORFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-6-26(7-2)19-10-13-21(16(3)14-19)25-22(28)15-27-24(29)17(4)23(33(27,30)31)18-8-11-20(32-5)12-9-18/h8-14H,6-7,15H2,1-5H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide has a molecular weight of 471.58 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide is sourced from PubChem (CID 53000124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).