N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide

C26H24N2O5S — CID 55856148

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1
InChIInChI=1S/C26H24N2O5S/c1-18-7-6-8-19(2)24(18)28-34(30,31)23-13-11-21(12-14-23)27-26(29)25-20(15-16-32-25)17-33-22-9-4-3-5-10-22/h3-16,28H,17H2,1-2H3,(H,27,29)
InChIKeyRDZKRRWKEQDLKC-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.53
Rot. Bonds8

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 55856148) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID55856148
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1
InChIInChI=1S/C26H24N2O5S/c1-18-7-6-8-19(2)24(18)28-34(30,31)23-13-11-21(12-14-23)27-26(29)25-20(15-16-32-25)17-33-22-9-4-3-5-10-22/h3-16,28H,17H2,1-2H3,(H,27,29)
InChIKeyRDZKRRWKEQDLKC-UHFFFAOYSA-N
XLogP5.53
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56533885
ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51314093
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55564411
ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate
CID 30138413
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate
CID 87043175
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955325

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 55856148) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is RDZKRRWKEQDLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-18-7-6-8-19(2)24(18)28-34(30,31)23-13-11-21(12-14-23)27-26(29)25-20(15-16-32-25)17-33-22-9-4-3-5-10-22/h3-16,28H,17H2,1-2H3,(H,27,29).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 55856148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).