N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide

C18H16N2O5S3 — CID 2814518

IUPACN-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C18H16N2O5S3/c1-13(21)19-14-7-9-15(10-8-14)20-28(24,25)18-12-11-17(26-18)27(22,23)16-5-3-2-4-6-16/h2-12,20H,1H3,(H,19,21)
InChIKeyDUPLDEZUFPLKPT-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.34
Rot. Bonds6

About N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide

N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide (PubChem CID 2814518) has the molecular formula C18H16N2O5S3 and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide
PubChem CID2814518
Molecular FormulaC18H16N2O5S3
Molecular Weight436.54 g/mol
Exact Mass436.02
IUPAC NameN-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C18H16N2O5S3/c1-13(21)19-14-7-9-15(10-8-14)20-28(24,25)18-12-11-17(26-18)27(22,23)16-5-3-2-4-6-16/h2-12,20H,1H3,(H,19,21)
InChIKeyDUPLDEZUFPLKPT-UHFFFAOYSA-N
XLogP3.34
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 5097147
N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
N-[4-[[4-(N-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986157
N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
CID 142001104
N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide
CID 53083779
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
CID 112988408
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
5-(benzenesulfonyl)-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)thiophene-2-sulfonamide
CID 71520247
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 53124429
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide (CID 2814518) is N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide?
The InChIKey is DUPLDEZUFPLKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S3/c1-13(21)19-14-7-9-15(10-8-14)20-28(24,25)18-12-11-17(26-18)27(22,23)16-5-3-2-4-6-16/h2-12,20H,1H3,(H,19,21).
What are the key properties of N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide?
N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide has a molecular weight of 436.54 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 2814518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).