N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide

C20H26N2O3S — CID 56536430

IUPACN-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)CC)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-16(3)22(15-17-9-7-6-8-10-17)20(23)18-11-13-19(14-12-18)26(24,25)21-5-2/h6-14,16,21H,4-5,15H2,1-3H3
InChIKeyOFTQPVWGAYYPNI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.43
Rot. Bonds8

About N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide

N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide (PubChem CID 56536430) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
PubChem CID56536430
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)CC)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-16(3)22(15-17-9-7-6-8-10-17)20(23)18-11-13-19(14-12-18)26(24,25)21-5-2/h6-14,16,21H,4-5,15H2,1-3H3
InChIKeyOFTQPVWGAYYPNI-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.43
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
N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217403
N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide
CID 56536544
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
benzyl(butan-2-yl)carbamic acid
CID 18954164
(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 56536513
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
2-[benzyl-[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]acetic acid
CID 120517921
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
CID 133149182
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)propanamide
CID 133148681
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide (CID 56536430) is N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)CC)cc1.
What is the InChIKey of N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide?
The InChIKey is OFTQPVWGAYYPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-16(3)22(15-17-9-7-6-8-10-17)20(23)18-11-13-19(14-12-18)26(24,25)21-5-2/h6-14,16,21H,4-5,15H2,1-3H3.
What are the key properties of N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide?
N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.43, 8 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-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 56536430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).