2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide

C18H14ClNO4S2 — CID 42100218

IUPAC2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H14ClNO4S2/c19-16-10-11-18(25-16)26(22,23)12-17(21)20-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,21)
InChIKeyUEEBVKZSKNSINV-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.61
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide

2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide (PubChem CID 42100218) has the molecular formula C18H14ClNO4S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide
PubChem CID42100218
Molecular FormulaC18H14ClNO4S2
Molecular Weight407.90 g/mol
Exact Mass407.01
IUPAC Name2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H14ClNO4S2/c19-16-10-11-18(25-16)26(22,23)12-17(21)20-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,21)
InChIKeyUEEBVKZSKNSINV-UHFFFAOYSA-N
XLogP4.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide (CID 42100218) is 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide is O=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide?
The InChIKey is UEEBVKZSKNSINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4S2/c19-16-10-11-18(25-16)26(22,23)12-17(21)20-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,21).
What are the key properties of 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide?
2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide has a molecular weight of 407.90 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 42100218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).