N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide

C25H23N3O4S2 — CID 121043156

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(OC)cc4)c3)n2)cc1
InChIInChI=1S/C25H23N3O4S2/c1-3-17-7-9-18(10-8-17)23-16-33-25(26-23)27-24(29)19-5-4-6-20(15-19)28-34(30,31)22-13-11-21(32-2)12-14-22/h4-16,28H,3H2,1-2H3,(H,26,27,29)
InChIKeyADYMSVVZLGZQSM-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.43
Rot. Bonds8

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 121043156) has the molecular formula C25H23N3O4S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID121043156
Molecular FormulaC25H23N3O4S2
Molecular Weight493.61 g/mol
Exact Mass493.11
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(OC)cc4)c3)n2)cc1
InChIInChI=1S/C25H23N3O4S2/c1-3-17-7-9-18(10-8-17)23-16-33-25(26-23)27-24(29)19-5-4-6-20(15-19)28-34(30,31)22-13-11-21(32-2)12-14-22/h4-16,28H,3H2,1-2H3,(H,26,27,29)
InChIKeyADYMSVVZLGZQSM-UHFFFAOYSA-N
XLogP5.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043159
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042376
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042373
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 121043156) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide is CCc1ccc(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(OC)cc4)c3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is ADYMSVVZLGZQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S2/c1-3-17-7-9-18(10-8-17)23-16-33-25(26-23)27-24(29)19-5-4-6-20(15-19)28-34(30,31)22-13-11-21(32-2)12-14-22/h4-16,28H,3H2,1-2H3,(H,26,27,29).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 493.61 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121043156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).