N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

C24H26N4O3S2 — CID 50816745

IUPACN-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(C2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)s1
InChIInChI=1S/C24H26N4O3S2/c29-22(25-20-10-2-1-3-11-20)24-27-26-23(32-24)19-9-6-14-28(16-19)33(30,31)21-13-12-17-7-4-5-8-18(17)15-21/h1-3,10-13,15,19H,4-9,14,16H2,(H,25,29)
InChIKeyNLRJQGZEJGTSMQ-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.24
Rot. Bonds5

About N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50816745) has the molecular formula C24H26N4O3S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID50816745
Molecular FormulaC24H26N4O3S2
Molecular Weight482.63 g/mol
Exact Mass482.14
IUPAC NameN-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(C2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)s1
InChIInChI=1S/C24H26N4O3S2/c29-22(25-20-10-2-1-3-11-20)24-27-26-23(32-24)19-9-6-14-28(16-19)33(30,31)21-13-12-17-7-4-5-8-18(17)15-21/h1-3,10-13,15,19H,4-9,14,16H2,(H,25,29)
InChIKeyNLRJQGZEJGTSMQ-UHFFFAOYSA-N
XLogP4.24
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 94089175
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088994
N-(4-fluorophenyl)-5-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088709
N-(4-fluorophenyl)-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50816624
N-(4-fluorophenyl)-5-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088739
N-(3-chlorophenyl)-5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50816759
5-(1-ethylsulfonylpiperidin-3-yl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816671
5-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816699
N-(3-chlorophenyl)-5-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94089064
N-(3-chlorophenyl)-5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94089048
5-[(3R)-1-(3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088761
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816674

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (CID 50816745) is N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nnc(C2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)s1.
What is the InChIKey of N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NLRJQGZEJGTSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S2/c29-22(25-20-10-2-1-3-11-20)24-27-26-23(32-24)19-9-6-14-28(16-19)33(30,31)21-13-12-17-7-4-5-8-18(17)15-21/h1-3,10-13,15,19H,4-9,14,16H2,(H,25,29).
What are the key properties of N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50816745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).