N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide

C19H24N4O4S — CID 55451551

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)no1
InChIInChI=1S/C19H24N4O4S/c1-14-12-18(21-27-14)20-19(24)22-8-10-23(11-9-22)28(25,26)17-7-6-15-4-2-3-5-16(15)13-17/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,21,24)
InChIKeyHARHQJWCESUZCI-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.40
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide (PubChem CID 55451551) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
PubChem CID55451551
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)no1
InChIInChI=1S/C19H24N4O4S/c1-14-12-18(21-27-14)20-19(24)22-8-10-23(11-9-22)28(25,26)17-7-6-15-4-2-3-5-16(15)13-17/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,21,24)
InChIKeyHARHQJWCESUZCI-UHFFFAOYSA-N
XLogP2.40
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 43001394
N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 78871932
3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27639550
N-(5-methyl-1,2-oxazol-3-yl)-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxamide
CID 24612405
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 9378872
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
3,3-dimethyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one
CID 24543782
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365789
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,4-diazepane-1-carboxylate
CID 110799195
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370456
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide (CID 55451551) is N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide?
The InChIKey is HARHQJWCESUZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-14-12-18(21-27-14)20-19(24)22-8-10-23(11-9-22)28(25,26)17-7-6-15-4-2-3-5-16(15)13-17/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,21,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide is sourced from PubChem (CID 55451551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).