N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide

C21H22N2O6S — CID 1138785

IUPACN-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide
SMILESCCOc1cc(NS(=O)(=O)c2ccccc2)c(OCC)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H22N2O6S/c1-3-27-19-14-17(23-30(25,26)15-9-6-5-7-10-15)20(28-4-2)13-16(19)22-21(24)18-11-8-12-29-18/h5-14,23H,3-4H2,1-2H3,(H,22,24)
InChIKeyYEAQEFVSOPRRBS-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.13
Rot. Bonds9

About N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide

N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide (PubChem CID 1138785) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide
PubChem CID1138785
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC NameN-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide
SMILESCCOc1cc(NS(=O)(=O)c2ccccc2)c(OCC)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H22N2O6S/c1-3-27-19-14-17(23-30(25,26)15-9-6-5-7-10-15)20(28-4-2)13-16(19)22-21(24)18-11-8-12-29-18/h5-14,23H,3-4H2,1-2H3,(H,22,24)
InChIKeyYEAQEFVSOPRRBS-UHFFFAOYSA-N
XLogP4.13
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide (CID 1138785) is N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide is CCOc1cc(NS(=O)(=O)c2ccccc2)c(OCC)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide?
The InChIKey is YEAQEFVSOPRRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-3-27-19-14-17(23-30(25,26)15-9-6-5-7-10-15)20(28-4-2)13-16(19)22-21(24)18-11-8-12-29-18/h5-14,23H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide?
N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-2,5-diethoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 1138785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).