N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide

C22H22N2O4S — CID 46582047

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C22H22N2O4S/c1-23(18-8-3-2-4-9-18)29(26,27)21-11-5-7-17(15-21)22(25)24(19-12-13-19)16-20-10-6-14-28-20/h2-11,14-15,19H,12-13,16H2,1H3
InChIKeyYDNUHDSDQLQPII-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.91
Rot. Bonds7

About N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide

N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 46582047) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID46582047
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C22H22N2O4S/c1-23(18-8-3-2-4-9-18)29(26,27)21-11-5-7-17(15-21)22(25)24(19-12-13-19)16-20-10-6-14-28-20/h2-11,14-15,19H,12-13,16H2,1H3
InChIKeyYDNUHDSDQLQPII-UHFFFAOYSA-N
XLogP3.91
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 4824191
N-benzyl-N-(1-cyclopropylethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 75854495
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 98771871
furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2683151
N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide
CID 52908504
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55587870
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide (CID 46582047) is N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is YDNUHDSDQLQPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-23(18-8-3-2-4-9-18)29(26,27)21-11-5-7-17(15-21)22(25)24(19-12-13-19)16-20-10-6-14-28-20/h2-11,14-15,19H,12-13,16H2,1H3.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46582047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).