2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C22H25N3O4S2 — CID 16945117

IUPAC2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc(NS(=O)(=O)c3ccc(C)cc3C)nc2C)cc1
InChIInChI=1S/C22H25N3O4S2/c1-14-5-10-19(15(2)13-14)31(27,28)25-22-24-16(3)20(30-22)21(26)23-12-11-17-6-8-18(29-4)9-7-17/h5-10,13H,11-12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyIBTOWQMGJLWPFI-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.85
Rot. Bonds8

About 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16945117) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16945117
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC Name2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc(NS(=O)(=O)c3ccc(C)cc3C)nc2C)cc1
InChIInChI=1S/C22H25N3O4S2/c1-14-5-10-19(15(2)13-14)31(27,28)25-22-24-16(3)20(30-22)21(26)23-12-11-17-6-8-18(29-4)9-7-17/h5-10,13H,11-12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyIBTOWQMGJLWPFI-UHFFFAOYSA-N
XLogP3.85
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 16945111
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897177
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944745
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16945138
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 126412703
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 16944617
2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16945173
N-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945066
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 16945117) is 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(CCNC(=O)c2sc(NS(=O)(=O)c3ccc(C)cc3C)nc2C)cc1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IBTOWQMGJLWPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-14-5-10-19(15(2)13-14)31(27,28)25-22-24-16(3)20(30-22)21(26)23-12-11-17-6-8-18(29-4)9-7-17/h5-10,13H,11-12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16945117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).