N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C20H24N2O3S — CID 131918610

IUPACN-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2C)o1
InChIInChI=1S/C20H24N2O3S/c1-14-7-5-6-12-22(14)20(24)16-8-3-4-9-17(16)21-19(23)18-11-10-15(25-18)13-26-2/h3-4,8-11,14H,5-7,12-13H2,1-2H3,(H,21,23)
InChIKeyGUOIISRHIYXCCP-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.41
Rot. Bonds5

About N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 131918610) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID131918610
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2C)o1
InChIInChI=1S/C20H24N2O3S/c1-14-7-5-6-12-22(14)20(24)16-8-3-4-9-17(16)21-19(23)18-11-10-15(25-18)13-26-2/h3-4,8-11,14H,5-7,12-13H2,1-2H3,(H,21,23)
InChIKeyGUOIISRHIYXCCP-UHFFFAOYSA-N
XLogP4.41
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 849804
(2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-2-carboxylic acid
CID 66264410
2,3,4-trimethoxy-N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7565850
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[5-(methylsulfanylmethyl)furan-2-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70750958
(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2129746
[2-(furan-2-yl)azepan-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70706464
cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 114173157
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
4-fluoro-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]benzoic acid
CID 43358560
[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 75981530
[2-[(2Z)-2-(2-iminoethylidene)hydrazinyl]phenyl]-(2-methylazepan-1-yl)methanone
CID 174180783

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 131918610) is N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2C)o1.
What is the InChIKey of N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is GUOIISRHIYXCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-7-5-6-12-22(14)20(24)16-8-3-4-9-17(16)21-19(23)18-11-10-15(25-18)13-26-2/h3-4,8-11,14H,5-7,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131918610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).