N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide

C21H22N2O5S2 — CID 16804295

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)c1
InChIInChI=1S/C21H22N2O5S2/c1-13(2)30(25,26)16-8-5-14(6-9-16)20(24)23-21-22-18(12-29-21)17-11-15(27-3)7-10-19(17)28-4/h5-13H,1-4H3,(H,22,23,24)
InChIKeySXZPJMLXEVHFPV-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.26
Rot. Bonds7

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 16804295) has the molecular formula C21H22N2O5S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
PubChem CID16804295
Molecular FormulaC21H22N2O5S2
Molecular Weight446.55 g/mol
Exact Mass446.10
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)c1
InChIInChI=1S/C21H22N2O5S2/c1-13(2)30(25,26)16-8-5-14(6-9-16)20(24)23-21-22-18(12-29-21)17-11-15(27-3)7-10-19(17)28-4/h5-13H,1-4H3,(H,22,23,24)
InChIKeySXZPJMLXEVHFPV-UHFFFAOYSA-N
XLogP4.26
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 16551488
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 4188572
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17416997
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4581402
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042376
methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30748240
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide (CID 16804295) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is SXZPJMLXEVHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S2/c1-13(2)30(25,26)16-8-5-14(6-9-16)20(24)23-21-22-18(12-29-21)17-11-15(27-3)7-10-19(17)28-4/h5-13H,1-4H3,(H,22,23,24).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 446.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 16804295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).