N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide

C20H19N3O5S — CID 1248064

IUPACN-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H19N3O5S/c1-29(26,27)23-15-10-8-14(9-11-15)19(24)22-18-7-3-2-6-17(18)20(25)21-13-16-5-4-12-28-16/h2-12,23H,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyRTAHBZCDWCSJAN-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.83
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide (PubChem CID 1248064) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
PubChem CID1248064
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H19N3O5S/c1-29(26,27)23-15-10-8-14(9-11-15)19(24)22-18-7-3-2-6-17(18)20(25)21-13-16-5-4-12-28-16/h2-12,23H,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyRTAHBZCDWCSJAN-UHFFFAOYSA-N
XLogP2.83
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide (CID 1248064) is N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide?
The InChIKey is RTAHBZCDWCSJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-29(26,27)23-15-10-8-14(9-11-15)19(24)22-18-7-3-2-6-17(18)20(25)21-13-16-5-4-12-28-16/h2-12,23H,13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide has a molecular weight of 413.46 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide is sourced from PubChem (CID 1248064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).