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

C19H25N3O3S2 — CID 8895391

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H25N3O3S2/c23-18(21-19-20-9-12-26-19)15-7-10-22(11-8-15)27(24,25)17-6-5-14-3-1-2-4-16(14)13-17/h5-6,13,15H,1-4,7-12H2,(H,20,21,23)
InChIKeyDAOVVWUOZLPDKS-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.19
Rot. Bonds3

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 8895391) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID8895391
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H25N3O3S2/c23-18(21-19-20-9-12-26-19)15-7-10-22(11-8-15)27(24,25)17-6-5-14-3-1-2-4-16(14)13-17/h5-6,13,15H,1-4,7-12H2,(H,20,21,23)
InChIKeyDAOVVWUOZLPDKS-UHFFFAOYSA-N
XLogP2.19
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 1429043
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
N-[4-(methylcarbamoylamino)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46518214
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 30859604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8903061
N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570
N-(5-chloro-2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30843616
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 30854662
N-(1H-indazol-7-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 34200797

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 8895391) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is O=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is DAOVVWUOZLPDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c23-18(21-19-20-9-12-26-19)15-7-10-22(11-8-15)27(24,25)17-6-5-14-3-1-2-4-16(14)13-17/h5-6,13,15H,1-4,7-12H2,(H,20,21,23).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 8895391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).