N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide

C18H18N2O3S2 — CID 112987709

IUPACN-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C18H18N2O3S2/c1-2-23-17-11-9-15(10-12-17)19-14-5-7-16(8-6-14)20-25(21,22)18-4-3-13-24-18/h3-13,19-20H,2H2,1H3
InChIKeyQZEKSFITTXUDJX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.69
Rot. Bonds7

About N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide

N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide (PubChem CID 112987709) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
PubChem CID112987709
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC NameN-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C18H18N2O3S2/c1-2-23-17-11-9-15(10-12-17)19-14-5-7-16(8-6-14)20-25(21,22)18-4-3-13-24-18/h3-13,19-20H,2H2,1H3
InChIKeyQZEKSFITTXUDJX-UHFFFAOYSA-N
XLogP4.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
CID 6493654
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39678609
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
CID 8824209
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019944

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide (CID 112987709) is N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide is CCOc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide?
The InChIKey is QZEKSFITTXUDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-2-23-17-11-9-15(10-12-17)19-14-5-7-16(8-6-14)20-25(21,22)18-4-3-13-24-18/h3-13,19-20H,2H2,1H3.
What are the key properties of N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide?
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112987709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).