N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C22H28N2O4S — CID 27739638

IUPACN-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C22H28N2O4S/c1-23(16-20-7-4-14-28-20)22(25)18-10-12-24(13-11-18)29(26,27)21-9-8-17-5-2-3-6-19(17)15-21/h4,7-9,14-15,18H,2-3,5-6,10-13,16H2,1H3
InChIKeyQQIOFCRGEHOZDH-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.22
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 27739638) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID27739638
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C22H28N2O4S/c1-23(16-20-7-4-14-28-20)22(25)18-10-12-24(13-11-18)29(26,27)21-9-8-17-5-2-3-6-19(17)15-21/h4,7-9,14-15,18H,2-3,5-6,10-13,16H2,1H3
InChIKeyQQIOFCRGEHOZDH-UHFFFAOYSA-N
XLogP3.22
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46809036
1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 92687752
1-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147
2-[furan-2-ylmethyl(methyl)amino]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18124354
N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide
CID 43020408
N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 78855666
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 40986459
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 78803580
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
CID 18109821
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpiperidine-4-carboxamide
CID 55336042
N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
CID 48737336
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 39983079

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 27739638) is N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is CN(Cc1ccco1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is QQIOFCRGEHOZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-23(16-20-7-4-14-28-20)22(25)18-10-12-24(13-11-18)29(26,27)21-9-8-17-5-2-3-6-19(17)15-21/h4,7-9,14-15,18H,2-3,5-6,10-13,16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 27739638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).