N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide

C25H23N3O5S2 — CID 121042376

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)n2)c1
InChIInChI=1S/C25H23N3O5S2/c1-16-7-10-20(11-8-16)35(30,31)28-18-6-4-5-17(13-18)24(29)27-25-26-22(15-34-25)21-14-19(32-2)9-12-23(21)33-3/h4-15,28H,1-3H3,(H,26,27,29)
InChIKeyNYDKUPVHMACJCU-UHFFFAOYSA-N
MW509.61 g/mol
LogP5.19
Rot. Bonds8

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 121042376) has the molecular formula C25H23N3O5S2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID121042376
Molecular FormulaC25H23N3O5S2
Molecular Weight509.61 g/mol
Exact Mass509.11
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)n2)c1
InChIInChI=1S/C25H23N3O5S2/c1-16-7-10-20(11-8-16)35(30,31)28-18-6-4-5-17(13-18)24(29)27-25-26-22(15-34-25)21-14-19(32-2)9-12-23(21)33-3/h4-15,28H,1-3H3,(H,26,27,29)
InChIKeyNYDKUPVHMACJCU-UHFFFAOYSA-N
XLogP5.19
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043159
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042373
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041538
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 16551488
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
CID 16804295
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 26723789
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 4188572

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 121042376) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is NYDKUPVHMACJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S2/c1-16-7-10-20(11-8-16)35(30,31)28-18-6-4-5-17(13-18)24(29)27-25-26-22(15-34-25)21-14-19(32-2)9-12-23(21)33-3/h4-15,28H,1-3H3,(H,26,27,29).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 509.61 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 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]-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121042376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).