N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

C20H26N2O5S — CID 26321541

IUPACN-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3oc(C)cc3C)C2)cc1
InChIInChI=1S/C20H26N2O5S/c1-14-11-15(2)27-19(14)20(23)22-10-4-5-16(13-22)12-21-28(24,25)18-8-6-17(26-3)7-9-18/h6-9,11,16,21H,4-5,10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyYOTIPEUUGSHYEJ-MRXNPFEDSA-N
MW406.50 g/mol
LogP2.74
Rot. Bonds6

About N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 26321541) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID26321541
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3oc(C)cc3C)C2)cc1
InChIInChI=1S/C20H26N2O5S/c1-14-11-15(2)27-19(14)20(23)22-10-4-5-16(13-22)12-21-28(24,25)18-8-6-17(26-3)7-9-18/h6-9,11,16,21H,4-5,10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyYOTIPEUUGSHYEJ-MRXNPFEDSA-N
XLogP2.74
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 45229284
N-[[(3R)-1-(cyclohexene-1-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26322895
4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 25370158
4-methoxy-N-[[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26391154
4-methoxy-N-[[(3R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26333357
4-methoxy-N-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42527977
4-methoxy-N-[[(3S)-1-(2-piperidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42460993
4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42288519
4-methoxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 45203635
4-methoxy-N-[[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42198115
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 55940304

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (CID 26321541) is N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3oc(C)cc3C)C2)cc1.
What is the InChIKey of N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is YOTIPEUUGSHYEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14-11-15(2)27-19(14)20(23)22-10-4-5-16(13-22)12-21-28(24,25)18-8-6-17(26-3)7-9-18/h6-9,11,16,21H,4-5,10,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 26321541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).