furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone

C21H27N3O5S — CID 100658157

IUPACfuran-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)CC1
InChIInChI=1S/C21H27N3O5S/c25-19-6-11-24(12-7-19)30(27,28)20-3-1-2-18(14-20)22-17-4-9-23(10-5-17)21(26)16-8-13-29-15-16/h1-3,8,13-15,17,19,22,25H,4-7,9-12H2
InChIKeyADQRVGHRYNZRAA-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.14
Rot. Bonds5

About furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone

furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone (PubChem CID 100658157) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone
PubChem CID100658157
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Namefuran-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC(Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)CC1
InChIInChI=1S/C21H27N3O5S/c25-19-6-11-24(12-7-19)30(27,28)20-3-1-2-18(14-20)22-17-4-9-23(10-5-17)21(26)16-8-13-29-15-16/h1-3,8,13-15,17,19,22,25H,4-7,9-12H2
InChIKeyADQRVGHRYNZRAA-UHFFFAOYSA-N
XLogP2.14
TPSA103.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 99832210
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30711489
furan-3-yl-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]methanone
CID 71998100
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
CID 55696964
4-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109063450
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31239856
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 31817197
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone (CID 100658157) is furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC(Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)CC1.
What is the InChIKey of furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone?
The InChIKey is ADQRVGHRYNZRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c25-19-6-11-24(12-7-19)30(27,28)20-3-1-2-18(14-20)22-17-4-9-23(10-5-17)21(26)16-8-13-29-15-16/h1-3,8,13-15,17,19,22,25H,4-7,9-12H2.
What are the key properties of furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone?
furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone has a molecular weight of 433.53 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[3-(4-hydroxypiperidin-1-yl)sulfonylanilino]piperidin-1-yl]methanone is sourced from PubChem (CID 100658157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).