N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

C25H23N3O3S2 — CID 3433357

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H23N3O3S2/c29-24(19-10-12-22(13-11-19)33(30,31)28-14-4-1-5-15-28)27-25-26-23(17-32-25)21-9-8-18-6-2-3-7-20(18)16-21/h2-3,6-13,16-17H,1,4-5,14-15H2,(H,26,27,29)
InChIKeyXMTJWRGSMNLZBK-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.39
Rot. Bonds5

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 3433357) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID3433357
Molecular FormulaC25H23N3O3S2
Molecular Weight477.61 g/mol
Exact Mass477.12
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H23N3O3S2/c29-24(19-10-12-22(13-11-19)33(30,31)28-14-4-1-5-15-28)27-25-26-23(17-32-25)21-9-8-18-6-2-3-7-20(18)16-21/h2-3,6-13,16-17H,1,4-5,14-15H2,(H,26,27,29)
InChIKeyXMTJWRGSMNLZBK-UHFFFAOYSA-N
XLogP5.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1191189
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 32622585
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2322219
4-(azepan-1-ylsulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2141431
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 39072606
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3,5-dichloro-4-methoxybenzamide
CID 18848621
4-[(4-fluorophenyl)sulfonylamino]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 121044337
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 3433357) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XMTJWRGSMNLZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c29-24(19-10-12-22(13-11-19)33(30,31)28-14-4-1-5-15-28)27-25-26-23(17-32-25)21-9-8-18-6-2-3-7-20(18)16-21/h2-3,6-13,16-17H,1,4-5,14-15H2,(H,26,27,29).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 477.61 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3433357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).