N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide

C19H18N2O3S2 — CID 6109154

IUPACN-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCCOc1ccc(N/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-2-24-17-12-10-16(11-13-17)20-19(15-7-4-3-5-8-15)21-26(22,23)18-9-6-14-25-18/h3-14H,2H2,1H3,(H,20,21)
InChIKeyQDHOMJWHQUJLAH-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.39
Rot. Bonds6

About N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide

N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 6109154) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID6109154
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCCOc1ccc(N/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O3S2/c1-2-24-17-12-10-16(11-13-17)20-19(15-7-4-3-5-8-15)21-26(22,23)18-9-6-14-25-18/h3-14H,2H2,1H3,(H,20,21)
InChIKeyQDHOMJWHQUJLAH-UHFFFAOYSA-N
XLogP4.39
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 2234502
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
(4-benzamidophenyl) thiophene-2-sulfonate
CID 32937824
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
2-[butyl(thiophen-2-ylsulfonyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 2107882
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
(2S)-3-methyl-N-(4-phenylmethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41228343
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 6109154) is N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is CCOc1ccc(N/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is QDHOMJWHQUJLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-2-24-17-12-10-16(11-13-17)20-19(15-7-4-3-5-8-15)21-26(22,23)18-9-6-14-25-18/h3-14H,2H2,1H3,(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 386.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 6109154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).