N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide

C13H14N2O4S2 — CID 17470879

IUPACN-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCONC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H14N2O4S2/c1-2-19-14-13(16)10-5-7-11(8-6-10)15-21(17,18)12-4-3-9-20-12/h3-9,15H,2H2,1H3,(H,14,16)
InChIKeyBJDWOHSFLPXBKD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds6

About N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide

N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 17470879) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID17470879
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC NameN-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCONC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H14N2O4S2/c1-2-19-14-13(16)10-5-7-11(8-6-10)15-21(17,18)12-4-3-9-20-12/h3-9,15H,2H2,1H3,(H,14,16)
InChIKeyBJDWOHSFLPXBKD-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46515976
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 33026888
N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41248781
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60597755
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24680132

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide (CID 17470879) is N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide is CCONC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is BJDWOHSFLPXBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-2-19-14-13(16)10-5-7-11(8-6-10)15-21(17,18)12-4-3-9-20-12/h3-9,15H,2H2,1H3,(H,14,16).
What are the key properties of N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide?
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 17470879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).