(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide

C20H24N2O4S — CID 51963840

IUPAC(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(27-18-5-3-17(25-2)4-6-18)19(23)21-16-7-10-22(11-8-16)20(24)15-9-12-26-13-15/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyZWDYHCATAGVAAR-CQSZACIVSA-N
MW388.49 g/mol
LogP3.19
Rot. Bonds6

About (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide

(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 51963840) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID51963840
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(27-18-5-3-17(25-2)4-6-18)19(23)21-16-7-10-22(11-8-16)20(24)15-9-12-26-13-15/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyZWDYHCATAGVAAR-CQSZACIVSA-N
XLogP3.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51963839
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119474521
N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 46540408
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 119621716
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 46451709
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide (CID 51963840) is (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(S[C@H](C)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is ZWDYHCATAGVAAR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(27-18-5-3-17(25-2)4-6-18)19(23)21-16-7-10-22(11-8-16)20(24)15-9-12-26-13-15/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide?
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 388.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 51963840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).