methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate

C22H24N2O6S2 — CID 142715393

IUPACmethyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate
SMILESCOC(=O)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)s1
InChIInChI=1S/C22H24N2O6S2/c1-28-16-9-12-18(19(13-16)29-2)24-32(26,27)17-10-7-15(8-11-17)20-14-23-21(31-20)5-4-6-22(25)30-3/h7-14,24H,4-6H2,1-3H3
InChIKeyNWWAJXWEHOHQQG-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.12
Rot. Bonds10

About methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate

methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate (PubChem CID 142715393) has the molecular formula C22H24N2O6S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate
PubChem CID142715393
Molecular FormulaC22H24N2O6S2
Molecular Weight476.58 g/mol
Exact Mass476.11
IUPAC Namemethyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate
SMILESCOC(=O)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)s1
InChIInChI=1S/C22H24N2O6S2/c1-28-16-9-12-18(19(13-16)29-2)24-32(26,27)17-10-7-15(8-11-17)20-14-23-21(31-20)5-4-6-22(25)30-3/h7-14,24H,4-6H2,1-3H3
InChIKeyNWWAJXWEHOHQQG-UHFFFAOYSA-N
XLogP4.12
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-cyclohexyl-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7940687
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 21335908
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 39861071
methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
CID 51063876
4-[(2,4-dimethoxyphenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
CID 6503913
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167861168
2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 168521474
methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate
CID 118302036
methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 22515636
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958814

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate?
The IUPAC name of methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate (CID 142715393) is methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate.
What is the SMILES notation for methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate?
The canonical SMILES for methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate is COC(=O)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)s1.
What is the InChIKey of methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate?
The InChIKey is NWWAJXWEHOHQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S2/c1-28-16-9-12-18(19(13-16)29-2)24-32(26,27)17-10-7-15(8-11-17)20-14-23-21(31-20)5-4-6-22(25)30-3/h7-14,24H,4-6H2,1-3H3.
What are the key properties of methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate?
methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate has a molecular weight of 476.58 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate is sourced from PubChem (CID 142715393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).