N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide

C16H20N2O4S — CID 90558454

IUPACN-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccoc2)c(C)c1
InChIInChI=1S/C16H20N2O4S/c1-3-16(19)18-14-4-5-15(12(2)10-14)23(20,21)17-8-6-13-7-9-22-11-13/h4-5,7,9-11,17H,3,6,8H2,1-2H3,(H,18,19)
InChIKeyLBMMYDWFTDRXRR-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.46
Rot. Bonds7

About N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide

N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide (PubChem CID 90558454) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
PubChem CID90558454
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccoc2)c(C)c1
InChIInChI=1S/C16H20N2O4S/c1-3-16(19)18-14-4-5-15(12(2)10-14)23(20,21)17-8-6-13-7-9-22-11-13/h4-5,7,9-11,17H,3,6,8H2,1-2H3,(H,18,19)
InChIKeyLBMMYDWFTDRXRR-UHFFFAOYSA-N
XLogP2.46
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide
CID 16891034
N-(3-ethyl-4-methylphenyl)-2-(furan-3-yl)acetamide
CID 136532473
N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide
CID 90583373
N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 97104756
2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90558451
N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90558429
N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251
N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 99872727
N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 71781629
N-[3-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887567
N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 16932779
N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 16888232

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide (CID 90558454) is N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccoc2)c(C)c1.
What is the InChIKey of N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide?
The InChIKey is LBMMYDWFTDRXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-3-16(19)18-14-4-5-15(12(2)10-14)23(20,21)17-8-6-13-7-9-22-11-13/h4-5,7,9-11,17H,3,6,8H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide?
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide has a molecular weight of 336.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 90558454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).