N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide

C18H25N3O4S2 — CID 55569665

IUPACN-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(CCc1ccco1)NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H25N3O4S2/c1-14(6-7-16-4-2-12-25-16)19-18(22)21-10-8-15(9-11-21)20-27(23,24)17-5-3-13-26-17/h2-5,12-15,20H,6-11H2,1H3,(H,19,22)
InChIKeyXXMWIYNLYULNKV-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.81
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 55569665) has the molecular formula C18H25N3O4S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID55569665
Molecular FormulaC18H25N3O4S2
Molecular Weight411.55 g/mol
Exact Mass411.13
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(CCc1ccco1)NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H25N3O4S2/c1-14(6-7-16-4-2-12-25-16)19-18(22)21-10-8-15(9-11-21)20-27(23,24)17-5-3-13-26-17/h2-5,12-15,20H,6-11H2,1H3,(H,19,22)
InChIKeyXXMWIYNLYULNKV-UHFFFAOYSA-N
XLogP2.81
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9141771
N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-(methanesulfonamido)piperidine-1-carboxamide
CID 95383461
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 41200370
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 48851978
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088759
N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118935
N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33348830

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide (CID 55569665) is N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide is CC(CCc1ccco1)NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is XXMWIYNLYULNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S2/c1-14(6-7-16-4-2-12-25-16)19-18(22)21-10-8-15(9-11-21)20-27(23,24)17-5-3-13-26-17/h2-5,12-15,20H,6-11H2,1H3,(H,19,22).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 55569665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).