N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide

C21H29N3O4S — CID 16888232

IUPACN-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c(C)c1
InChIInChI=1S/C21H29N3O4S/c1-3-21(25)23-18-6-7-20(16(2)13-18)29(26,27)22-14-17-8-10-24(11-9-17)15-19-5-4-12-28-19/h4-7,12-13,17,22H,3,8-11,14-15H2,1-2H3,(H,23,25)
InChIKeyVAUSARBNFWQSEF-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.13
Rot. Bonds8

About N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide

N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide (PubChem CID 16888232) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide
PubChem CID16888232
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c(C)c1
InChIInChI=1S/C21H29N3O4S/c1-3-21(25)23-18-6-7-20(16(2)13-18)29(26,27)22-14-17-8-10-24(11-9-17)15-19-5-4-12-28-19/h4-7,12-13,17,22H,3,8-11,14-15H2,1-2H3,(H,23,25)
InChIKeyVAUSARBNFWQSEF-UHFFFAOYSA-N
XLogP3.13
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887567
N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 99872727
2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888184
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16888199
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 16888241
N-[4-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 121110073
5-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 16888212
1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888258
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide
CID 130214962
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
CID 90558454
N-[3-methyl-4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]sulfonylphenyl]propanamide
CID 90629296
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide (CID 16888232) is N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccco3)CC2)c(C)c1.
What is the InChIKey of N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide?
The InChIKey is VAUSARBNFWQSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-3-21(25)23-18-6-7-20(16(2)13-18)29(26,27)22-14-17-8-10-24(11-9-17)15-19-5-4-12-28-19/h4-7,12-13,17,22H,3,8-11,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide?
N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide has a molecular weight of 419.55 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 16888232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).