N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C27H37N3O4S — CID 40986459

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C27H37N3O4S/c31-27(28-20-25(26-9-6-18-34-26)29-14-4-1-5-15-29)22-12-16-30(17-13-22)35(32,33)24-11-10-21-7-2-3-8-23(21)19-24/h6,9-11,18-19,22,25H,1-5,7-8,12-17,20H2,(H,28,31)/t25-/m0/s1
InChIKeyBOMQOQZAXBLLAJ-VWLOTQADSA-N
MW499.68 g/mol
LogP3.90
Rot. Bonds7

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 40986459) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID40986459
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C27H37N3O4S/c31-27(28-20-25(26-9-6-18-34-26)29-14-4-1-5-15-29)22-12-16-30(17-13-22)35(32,33)24-11-10-21-7-2-3-8-23(21)19-24/h6,9-11,18-19,22,25H,1-5,7-8,12-17,20H2,(H,28,31)/t25-/m0/s1
InChIKeyBOMQOQZAXBLLAJ-VWLOTQADSA-N
XLogP3.90
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 43043566
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30470697
N-(3-piperidin-1-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27743802
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-4-carboxamide
CID 120653739
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
N-[2-(benzenesulfonyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55733985
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 40986459) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is BOMQOQZAXBLLAJ-VWLOTQADSA-N. The full InChI is InChI=1S/C27H37N3O4S/c31-27(28-20-25(26-9-6-18-34-26)29-14-4-1-5-15-29)22-12-16-30(17-13-22)35(32,33)24-11-10-21-7-2-3-8-23(21)19-24/h6,9-11,18-19,22,25H,1-5,7-8,12-17,20H2,(H,28,31)/t25-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 499.68 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 40986459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).