N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide

C22H24N2O3S2 — CID 56536537

IUPACN-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-3-17(2)24(16-18-8-5-4-6-9-18)22(25)19-11-13-20(14-12-19)23-29(26,27)21-10-7-15-28-21/h4-15,17,23H,3,16H2,1-2H3
InChIKeyXVLXRGVBZVVTMW-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.99
Rot. Bonds8

About N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide

N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 56536537) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID56536537
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-3-17(2)24(16-18-8-5-4-6-9-18)22(25)19-11-13-20(14-12-19)23-29(26,27)21-10-7-15-28-21/h4-15,17,23H,3,16H2,1-2H3
InChIKeyXVLXRGVBZVVTMW-UHFFFAOYSA-N
XLogP4.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095
N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
CID 56536430
N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 40589296
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 97064358
N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55347513
N-[(2-bromophenyl)methyl]-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 26555339
N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217403
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55656034
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide (CID 56536537) is N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide is CCC(C)N(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is XVLXRGVBZVVTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-3-17(2)24(16-18-8-5-4-6-9-18)22(25)19-11-13-20(14-12-19)23-29(26,27)21-10-7-15-28-21/h4-15,17,23H,3,16H2,1-2H3.
What are the key properties of N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide?
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 56536537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).