N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate

C19H17N2O3S2- — CID 2380509

IUPACN-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
SMILESO=S(=O)(Nc1ccccc1/C([O-])=N/CCc1ccccc1)c1cccs1
InChIInChI=1S/C19H18N2O3S2/c22-19(20-13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)21-26(23,24)18-11-6-14-25-18/h1-11,14,21H,12-13H2,(H,20,22)/p-1
InChIKeyYYYRWLZZVUNIAO-UHFFFAOYSA-M
MW385.49 g/mol
LogP2.90
Rot. Bonds7

About N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate

N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate (PubChem CID 2380509) has the molecular formula C19H17N2O3S2- and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
PubChem CID2380509
Molecular FormulaC19H17N2O3S2-
Molecular Weight385.49 g/mol
Exact Mass385.07
IUPAC NameN-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
SMILESO=S(=O)(Nc1ccccc1/C([O-])=N/CCc1ccccc1)c1cccs1
InChIInChI=1S/C19H18N2O3S2/c22-19(20-13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)21-26(23,24)18-11-6-14-25-18/h1-11,14,21H,12-13H2,(H,20,22)/p-1
InChIKeyYYYRWLZZVUNIAO-UHFFFAOYSA-M
XLogP2.90
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2336215
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2431556
(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 6783266
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
N-benzyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 40589296
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2366514
N-[2-[(2-benzylsulfanylpropanoylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 55792346
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 2346066

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate?
The IUPAC name of N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate (CID 2380509) is N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate.
What is the SMILES notation for N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate?
The canonical SMILES for N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate is O=S(=O)(Nc1ccccc1/C([O-])=N/CCc1ccccc1)c1cccs1.
What is the InChIKey of N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate?
The InChIKey is YYYRWLZZVUNIAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18N2O3S2/c22-19(20-13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)21-26(23,24)18-11-6-14-25-18/h1-11,14,21H,12-13H2,(H,20,22)/p-1.
What are the key properties of N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate?
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate has a molecular weight of 385.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate is sourced from PubChem (CID 2380509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).