N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide

C21H22N2O3S2 — CID 55909095

IUPACN-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-16(2)23(15-17-8-4-3-5-9-17)21(24)18-10-6-11-19(14-18)22-28(25,26)20-12-7-13-27-20/h3-14,16,22H,15H2,1-2H3
InChIKeyKQNCPAZEBCXFRW-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.60
Rot. Bonds7

About N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide

N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55909095) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55909095
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-16(2)23(15-17-8-4-3-5-9-17)21(24)18-10-6-11-19(14-18)22-28(25,26)20-12-7-13-27-20/h3-14,16,22H,15H2,1-2H3
InChIKeyKQNCPAZEBCXFRW-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119583489
N-methyl-3-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55787151
2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid
CID 119205119
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55788608

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55909095) is N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide is CC(C)N(Cc1ccccc1)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is KQNCPAZEBCXFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-16(2)23(15-17-8-4-3-5-9-17)21(24)18-10-6-11-19(14-18)22-28(25,26)20-12-7-13-27-20/h3-14,16,22H,15H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide?
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55909095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).