N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide

C21H20N2O3S2 — CID 46492831

IUPACN-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H20N2O3S2/c24-20(22-15-21(11-12-21)17-7-2-1-3-8-17)16-6-4-9-18(14-16)23-28(25,26)19-10-5-13-27-19/h1-10,13-14,23H,11-12,15H2,(H,22,24)
InChIKeyRKFWACBIPJWQMD-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.01
Rot. Bonds7

About N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide

N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 46492831) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID46492831
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H20N2O3S2/c24-20(22-15-21(11-12-21)17-7-2-1-3-8-17)16-6-4-9-18(14-16)23-28(25,26)19-10-5-13-27-19/h1-10,13-14,23H,11-12,15H2,(H,22,24)
InChIKeyRKFWACBIPJWQMD-UHFFFAOYSA-N
XLogP4.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-[(1-phenylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 42269285
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55788608
N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55830367
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
3-(ethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 55523331

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 46492831) is N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCC1(c2ccccc2)CC1)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is RKFWACBIPJWQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c24-20(22-15-21(11-12-21)17-7-2-1-3-8-17)16-6-4-9-18(14-16)23-28(25,26)19-10-5-13-27-19/h1-10,13-14,23H,11-12,15H2,(H,22,24).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 412.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 46492831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).