4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

C20H21N3O3S2 — CID 49460558

IUPAC4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H21N3O3S2/c1-14-19(27-13-21-14)20(24)22-17-8-10-23(11-9-17)28(25,26)18-7-6-15-4-2-3-5-16(15)12-18/h2-7,12-13,17H,8-11H2,1H3,(H,22,24)
InChIKeySAVRVJKXZXXOKP-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.19
Rot. Bonds4

About 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 49460558) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID49460558
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H21N3O3S2/c1-14-19(27-13-21-14)20(24)22-17-8-10-23(11-9-17)28(25,26)18-7-6-15-4-2-3-5-16(15)12-18/h2-7,12-13,17H,8-11H2,1H3,(H,22,24)
InChIKeySAVRVJKXZXXOKP-UHFFFAOYSA-N
XLogP3.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49432488
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74238790
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3232423
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3231786
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
1-naphthalen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 5124057
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (CID 49460558) is 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is SAVRVJKXZXXOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-14-19(27-13-21-14)20(24)22-17-8-10-23(11-9-17)28(25,26)18-7-6-15-4-2-3-5-16(15)12-18/h2-7,12-13,17H,8-11H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49460558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).