N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide

C22H28N2O3S — CID 56536544

IUPACN-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C22H28N2O3S/c1-3-17(2)24(16-19-8-5-4-6-9-19)22(25)20-10-7-11-21(14-20)28(26,27)23-15-18-12-13-18/h4-11,14,17-18,23H,3,12-13,15-16H2,1-2H3
InChIKeyJSUWWDUMPXMZGJ-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.82
Rot. Bonds9

About N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide

N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide (PubChem CID 56536544) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide
PubChem CID56536544
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C22H28N2O3S/c1-3-17(2)24(16-19-8-5-4-6-9-19)22(25)20-10-7-11-21(14-20)28(26,27)23-15-18-12-13-18/h4-11,14,17-18,23H,3,12-13,15-16H2,1-2H3
InChIKeyJSUWWDUMPXMZGJ-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-butan-2-yl-3-(ethylsulfamoyl)benzamide
CID 56536496
2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193315
N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
CID 56536430
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279
N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide
CID 126808026
3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide
CID 56523768

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide (CID 56536544) is N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide is CCC(C)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide?
The InChIKey is JSUWWDUMPXMZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-17(2)24(16-19-8-5-4-6-9-19)22(25)20-10-7-11-21(14-20)28(26,27)23-15-18-12-13-18/h4-11,14,17-18,23H,3,12-13,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide?
N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide has a molecular weight of 400.54 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide is sourced from PubChem (CID 56536544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).