2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide

C18H24N2O4S2 — CID 51894945

IUPAC2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)o1
InChIInChI=1S/C18H24N2O4S2/c1-13-12-16(14(2)24-13)18(21)19-9-8-15-6-3-4-10-20(15)26(22,23)17-7-5-11-25-17/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyCPADXURZJHKGAR-OAHLLOKOSA-N
MW396.53 g/mol
LogP3.32
Rot. Bonds6

About 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide (PubChem CID 51894945) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide
PubChem CID51894945
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)o1
InChIInChI=1S/C18H24N2O4S2/c1-13-12-16(14(2)24-13)18(21)19-9-8-15-6-3-4-10-20(15)26(22,23)17-7-5-11-25-17/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyCPADXURZJHKGAR-OAHLLOKOSA-N
XLogP3.32
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide with MolForge

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Related Compounds

3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide
CID 51894947
N'-(3,5-dimethylphenyl)-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195670
N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9468233
N'-(2,5-dimethylphenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195919
N'-(2,5-dimethylphenyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
CID 16829776
3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide
CID 71960960
(3S)-N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084948
N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
CID 18574464
N'-[2-(4-fluorophenyl)ethyl]-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195687
N'-[(4-chlorophenyl)methyl]-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195608
N'-(2-chlorophenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195896
N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]cyclopropanesulfonamide
CID 121084159

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide (CID 51894945) is 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide?
The InChIKey is CPADXURZJHKGAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-13-12-16(14(2)24-13)18(21)19-9-8-15-6-3-4-10-20(15)26(22,23)17-7-5-11-25-17/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 51894945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).