N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C26H29N3O3S2 — CID 30846281

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCc1csc(N(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c2ccccc2)n1
InChIInChI=1S/C26H29N3O3S2/c1-19-18-33-26(27-19)29(23-9-3-2-4-10-23)25(30)21-13-15-28(16-14-21)34(31,32)24-12-11-20-7-5-6-8-22(20)17-24/h2-4,9-12,17-18,21H,5-8,13-16H2,1H3
InChIKeyHOWDCZGQQFJZDG-UHFFFAOYSA-N
MW495.67 g/mol
LogP5.10
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 30846281) has the molecular formula C26H29N3O3S2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID30846281
Molecular FormulaC26H29N3O3S2
Molecular Weight495.67 g/mol
Exact Mass495.17
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCc1csc(N(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c2ccccc2)n1
InChIInChI=1S/C26H29N3O3S2/c1-19-18-33-26(27-19)29(23-9-3-2-4-10-23)25(30)21-13-15-28(16-14-21)34(31,32)24-12-11-20-7-5-6-8-22(20)17-24/h2-4,9-12,17-18,21H,5-8,13-16H2,1H3
InChIKeyHOWDCZGQQFJZDG-UHFFFAOYSA-N
XLogP5.10
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 26176459
1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 38906012
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 26176493
N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 78871932
N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide
CID 43020408
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 8895391
N-[2-(benzenesulfonyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55733985
N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27739638
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
CID 42993227
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333249
N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 78855666
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 30846281) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is Cc1csc(N(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is HOWDCZGQQFJZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S2/c1-19-18-33-26(27-19)29(23-9-3-2-4-10-23)25(30)21-13-15-28(16-14-21)34(31,32)24-12-11-20-7-5-6-8-22(20)17-24/h2-4,9-12,17-18,21H,5-8,13-16H2,1H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 30846281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).