N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide

C22H22N2O4S — CID 38253066

IUPACN-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H22N2O4S/c25-22(24(19-10-11-19)16-17-5-2-1-3-6-17)18-8-12-21(13-9-18)29(26,27)23-15-20-7-4-14-28-20/h1-9,12-14,19,23H,10-11,15-16H2
InChIKeyAREHVXMWDQROCZ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.56
Rot. Bonds8

About N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide

N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 38253066) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID38253066
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H22N2O4S/c25-22(24(19-10-11-19)16-17-5-2-1-3-6-17)18-8-12-21(13-9-18)29(26,27)23-15-20-7-4-14-28-20/h1-9,12-14,19,23H,10-11,15-16H2
InChIKeyAREHVXMWDQROCZ-UHFFFAOYSA-N
XLogP3.56
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55984401
4-(furan-2-ylmethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547189
N-(furan-2-ylmethyl)-4-(furan-2-ylmethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 47083523
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 2555092
N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38253124
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 4794636
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55634091
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
N-ethyl-N-(2-ethylbutyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 39482925

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 38253066) is N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide is O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is AREHVXMWDQROCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-22(24(19-10-11-19)16-17-5-2-1-3-6-17)18-8-12-21(13-9-18)29(26,27)23-15-20-7-4-14-28-20/h1-9,12-14,19,23H,10-11,15-16H2.
What are the key properties of N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 38253066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).