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

C23H25N3O5S2 — CID 4188572

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)c1
InChIInChI=1S/C23H25N3O5S2/c1-30-17-8-11-21(31-2)19(14-17)20-15-32-23(24-20)25-22(27)16-6-9-18(10-7-16)33(28,29)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,25,27)
InChIKeyCPGKLRRRWDNPLY-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.25
Rot. Bonds7

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 4188572) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID4188572
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)c1
InChIInChI=1S/C23H25N3O5S2/c1-30-17-8-11-21(31-2)19(14-17)20-15-32-23(24-20)25-22(27)16-6-9-18(10-7-16)33(28,29)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,25,27)
InChIKeyCPGKLRRRWDNPLY-UHFFFAOYSA-N
XLogP4.25
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[4-[2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3536744
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
CID 16804295
1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16861657
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1191189
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4581402
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55722629
4-(azepan-1-ylsulfonyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3540717
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 16551488
N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3,5-dichloro-4-methoxybenzamide
CID 18848621
4-(azepan-1-ylsulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 4188572) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CPGKLRRRWDNPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-30-17-8-11-21(31-2)19(14-17)20-15-32-23(24-20)25-22(27)16-6-9-18(10-7-16)33(28,29)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 487.60 g/mol, XLogP of 4.25, 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-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4188572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).