N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide

C25H24N2O3S3 — CID 40589296

IUPACN-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESC[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C25H24N2O3S3/c1-19(17-21-11-7-15-31-21)27(18-20-9-3-2-4-10-20)25(28)22-12-5-6-13-23(22)26-33(29,30)24-14-8-16-32-24/h2-16,19,26H,17-18H2,1H3/t19-/m1/s1
InChIKeyWKDSOIPUCFMXLK-LJQANCHMSA-N
MW496.68 g/mol
LogP5.88
Rot. Bonds9

About N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide

N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 40589296) has the molecular formula C25H24N2O3S3 and a molecular weight of 496.68 g/mol. Its IUPAC name is N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID40589296
Molecular FormulaC25H24N2O3S3
Molecular Weight496.68 g/mol
Exact Mass496.09
IUPAC NameN-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESC[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C25H24N2O3S3/c1-19(17-21-11-7-15-31-21)27(18-20-9-3-2-4-10-20)25(28)22-12-5-6-13-23(22)26-33(29,30)24-14-8-16-32-24/h2-16,19,26H,17-18H2,1H3/t19-/m1/s1
InChIKeyWKDSOIPUCFMXLK-LJQANCHMSA-N
XLogP5.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.68
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095
1-benzyl-3-[4-(dimethylsulfamoyl)phenyl]-1-[(2R)-1-thiophen-2-ylpropan-2-yl]urea
CID 52524558
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 24684878
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2380509
N-[2-[(2-benzylsulfanylpropanoylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 55792346
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
1-benzyl-3-(2,3-dimethylphenyl)-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8658715
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 7392702
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 40589296) is N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide is C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is WKDSOIPUCFMXLK-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24N2O3S3/c1-19(17-21-11-7-15-31-21)27(18-20-9-3-2-4-10-20)25(28)22-12-5-6-13-23(22)26-33(29,30)24-14-8-16-32-24/h2-16,19,26H,17-18H2,1H3/t19-/m1/s1.
What are the key properties of N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 496.68 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 40589296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).