N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

C22H23N3O5S — CID 34238919

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C22H23N3O5S/c1-15-5-8-17(9-6-15)25-31(28,29)19-10-7-16(2)20(12-19)22(27)24-14-21(26)23-13-18-4-3-11-30-18/h3-12,25H,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAYURRJOCWNWQAX-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.74
Rot. Bonds8

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 34238919) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID34238919
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C22H23N3O5S/c1-15-5-8-17(9-6-15)25-31(28,29)19-10-7-16(2)20(12-19)22(27)24-14-21(26)23-13-18-4-3-11-30-18/h3-12,25H,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAYURRJOCWNWQAX-UHFFFAOYSA-N
XLogP2.74
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 36698057
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
CID 9080458
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 24504865
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55347863
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 55430189
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide (CID 34238919) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is AYURRJOCWNWQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-15-5-8-17(9-6-15)25-31(28,29)19-10-7-16(2)20(12-19)22(27)24-14-21(26)23-13-18-4-3-11-30-18/h3-12,25H,13-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 441.51 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 34238919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).