N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide

C20H21ClN2O7S2 — CID 174394504

IUPACN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
SMILESCOc1cc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c(OC)c1OC
InChIInChI=1S/C20H21ClN2O7S2/c1-10-12(9-14(27-3)18(29-5)17(10)28-4)8-13(24)19-15(6-7-31-19)32(25,26)23-20-16(21)11(2)22-30-20/h6-7,9,23H,8H2,1-5H3
InChIKeyADHGTOBLUKJVSN-UHFFFAOYSA-N
MW500.98 g/mol
LogP4.26
Rot. Bonds9

About N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide (PubChem CID 174394504) has the molecular formula C20H21ClN2O7S2 and a molecular weight of 500.98 g/mol. Its IUPAC name is N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
PubChem CID174394504
Molecular FormulaC20H21ClN2O7S2
Molecular Weight500.98 g/mol
Exact Mass500.05
IUPAC NameN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
SMILESCOc1cc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c(OC)c1OC
InChIInChI=1S/C20H21ClN2O7S2/c1-10-12(9-14(27-3)18(29-5)17(10)28-4)8-13(24)19-15(6-7-31-19)32(25,26)23-20-16(21)11(2)22-30-20/h6-7,9,23H,8H2,1-5H3
InChIKeyADHGTOBLUKJVSN-UHFFFAOYSA-N
XLogP4.26
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.98
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide 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 N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide?
The IUPAC name of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide (CID 174394504) is N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide is COc1cc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c(OC)c1OC.
What is the InChIKey of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide?
The InChIKey is ADHGTOBLUKJVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O7S2/c1-10-12(9-14(27-3)18(29-5)17(10)28-4)8-13(24)19-15(6-7-31-19)32(25,26)23-20-16(21)11(2)22-30-20/h6-7,9,23H,8H2,1-5H3.
What are the key properties of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide?
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide has a molecular weight of 500.98 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide is sourced from PubChem (CID 174394504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).