N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide

C24H34N4O3S — CID 30667403

IUPACN-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCCCCC1
InChIInChI=1S/C24H34N4O3S/c25-19-24(11-5-1-2-6-12-24)26-23(29)18-27-13-15-28(16-14-27)32(30,31)22-10-9-20-7-3-4-8-21(20)17-22/h9-10,17H,1-8,11-16,18H2,(H,26,29)
InChIKeyFNDGJCBGTTZBTO-UHFFFAOYSA-N
MW458.63 g/mol
LogP2.60
Rot. Bonds5

About N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide

N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide (PubChem CID 30667403) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
PubChem CID30667403
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC NameN-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCCCCC1
InChIInChI=1S/C24H34N4O3S/c25-19-24(11-5-1-2-6-12-24)26-23(29)18-27-13-15-28(16-14-27)32(30,31)22-10-9-20-7-3-4-8-21(20)17-22/h9-10,17H,1-8,11-16,18H2,(H,26,29)
InChIKeyFNDGJCBGTTZBTO-UHFFFAOYSA-N
XLogP2.60
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
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1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-2-one
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N-(2-fluorophenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
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2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-tert-butyl-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
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2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide (CID 30667403) is N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide is N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide?
The InChIKey is FNDGJCBGTTZBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S/c25-19-24(11-5-1-2-6-12-24)26-23(29)18-27-13-15-28(16-14-27)32(30,31)22-10-9-20-7-3-4-8-21(20)17-22/h9-10,17H,1-8,11-16,18H2,(H,26,29).
What are the key properties of N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide?
N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide has a molecular weight of 458.63 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30667403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).