2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide

C23H25N3O4S2 — CID 108781161

IUPAC2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1
InChIInChI=1S/C23H25N3O4S2/c1-13-9-19(30-6)20(10-14(13)2)32(28,29)25-22-24-17(12-31-22)15-7-8-18-16(11-15)23(3,4)21(27)26(18)5/h7-12H,1-6H3,(H,24,25)
InChIKeyIMNDVHXVQJZZAS-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.49
Rot. Bonds5

About 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 108781161) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID108781161
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1
InChIInChI=1S/C23H25N3O4S2/c1-13-9-19(30-6)20(10-14(13)2)32(28,29)25-22-24-17(12-31-22)15-7-8-18-16(11-15)23(3,4)21(27)26(18)5/h7-12H,1-6H3,(H,24,25)
InChIKeyIMNDVHXVQJZZAS-UHFFFAOYSA-N
XLogP4.49
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide
CID 108781169
(E)-3-(3,4-dimethoxyphenyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 108754646
1,3,3-trimethyl-5-[2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]-1,3-thiazol-4-yl]indol-2-one
CID 108773272
2-(2-methoxyethoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 108731053
2-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 108731032
(E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide
CID 108754588
3-chloro-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 108754688
3-bromo-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 108731130
3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 108754604
methyl 4-[(E)-3-oxo-3-[[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]amino]prop-1-enyl]benzoate
CID 108731016
N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 108754689
4-nitro-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 108754607

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 108781161) is 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is IMNDVHXVQJZZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-13-9-19(30-6)20(10-14(13)2)32(28,29)25-22-24-17(12-31-22)15-7-8-18-16(11-15)23(3,4)21(27)26(18)5/h7-12H,1-6H3,(H,24,25).
What are the key properties of 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 471.60 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 108781161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).