N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide

C18H16N2O6S4 — CID 2055891

IUPACN-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide
SMILESCC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H16N2O6S4/c1-13(21)19(29(23,24)17-5-3-11-27-17)15-7-9-16(10-8-15)20(14(2)22)30(25,26)18-6-4-12-28-18/h3-12H,1-2H3
InChIKeyBEOMDLQPOSETLE-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.29
Rot. Bonds6

About N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide

N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide (PubChem CID 2055891) has the molecular formula C18H16N2O6S4 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide
PubChem CID2055891
Molecular FormulaC18H16N2O6S4
Molecular Weight484.60 g/mol
Exact Mass483.99
IUPAC NameN-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide
SMILESCC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H16N2O6S4/c1-13(21)19(29(23,24)17-5-3-11-27-17)15-7-9-16(10-8-15)20(14(2)22)30(25,26)18-6-4-12-28-18/h3-12H,1-2H3
InChIKeyBEOMDLQPOSETLE-UHFFFAOYSA-N
XLogP3.29
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide?
The IUPAC name of N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide (CID 2055891) is N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide is CC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide?
The InChIKey is BEOMDLQPOSETLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S4/c1-13(21)19(29(23,24)17-5-3-11-27-17)15-7-9-16(10-8-15)20(14(2)22)30(25,26)18-6-4-12-28-18/h3-12H,1-2H3.
What are the key properties of N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide?
N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide has a molecular weight of 484.60 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl]-N-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 2055891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).