1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide

C20H25N3O6S2 — CID 55975291

IUPAC1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C20H25N3O6S2/c24-19(16-4-1-2-8-23(16)20(25)17-5-3-11-29-17)21-14-15-6-7-18(30-15)31(26,27)22-9-12-28-13-10-22/h3,5-7,11,16H,1-2,4,8-10,12-14H2,(H,21,24)
InChIKeyOVLGYZONTCIZBO-UHFFFAOYSA-N
MW467.57 g/mol
LogP1.67
Rot. Bonds6

About 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide

1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 55975291) has the molecular formula C20H25N3O6S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide
PubChem CID55975291
Molecular FormulaC20H25N3O6S2
Molecular Weight467.57 g/mol
Exact Mass467.12
IUPAC Name1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C20H25N3O6S2/c24-19(16-4-1-2-8-23(16)20(25)17-5-3-11-29-17)21-14-15-6-7-18(30-15)31(26,27)22-9-12-28-13-10-22/h3,5-7,11,16H,1-2,4,8-10,12-14H2,(H,21,24)
InChIKeyOVLGYZONTCIZBO-UHFFFAOYSA-N
XLogP1.67
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24582300
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 55975411
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55374539
(2S)-1-(furan-2-carbonyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 55944114
1-(furan-2-ylmethyl)-2-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 119114490
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55674739

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide (CID 55975291) is 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is OVLGYZONTCIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S2/c24-19(16-4-1-2-8-23(16)20(25)17-5-3-11-29-17)21-14-15-6-7-18(30-15)31(26,27)22-9-12-28-13-10-22/h3,5-7,11,16H,1-2,4,8-10,12-14H2,(H,21,24).
What are the key properties of 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide?
1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 55975291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).