3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide

C18H22N2O5S — CID 47058818

IUPAC3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-8-10-25-17(13)18(21)19-11-14-4-6-16(7-5-14)26(22,23)20-12-15-3-2-9-24-15/h4-8,10,15,20H,2-3,9,11-12H2,1H3,(H,19,21)
InChIKeyZTFOBCIIACLZQC-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.98
Rot. Bonds7

About 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide

3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 47058818) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide
PubChem CID47058818
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-8-10-25-17(13)18(21)19-11-14-4-6-16(7-5-14)26(22,23)20-12-15-3-2-9-24-15/h4-8,10,15,20H,2-3,9,11-12H2,1H3,(H,19,21)
InChIKeyZTFOBCIIACLZQC-UHFFFAOYSA-N
XLogP1.98
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119736096
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
2-methyl-1-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 110917508
(Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide
CID 52515314
(2S)-2-amino-3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296363
4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296365
N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2946621
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903
1-tert-butyl-2-methyl-3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine
CID 110965313
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide (CID 47058818) is 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is ZTFOBCIIACLZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-8-10-25-17(13)18(21)19-11-14-4-6-16(7-5-14)26(22,23)20-12-15-3-2-9-24-15/h4-8,10,15,20H,2-3,9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide?
3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 47058818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).