5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide

C20H16ClNO5S — CID 91332833

IUPAC5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)o2)cc1
InChIInChI=1S/C20H16ClNO5S/c1-12(23)13-3-5-14(6-4-13)18-9-10-19(27-18)20(24)22-17-11-15(28(2,25)26)7-8-16(17)21/h3-11H,1-2H3,(H,22,24)
InChIKeyYJIQAFRDKBNIPX-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.46
Rot. Bonds5

About 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide

5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide (PubChem CID 91332833) has the molecular formula C20H16ClNO5S and a molecular weight of 417.87 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide
PubChem CID91332833
Molecular FormulaC20H16ClNO5S
Molecular Weight417.87 g/mol
Exact Mass417.04
IUPAC Name5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)o2)cc1
InChIInChI=1S/C20H16ClNO5S/c1-12(23)13-3-5-14(6-4-13)18-9-10-19(27-18)20(24)22-17-11-15(28(2,25)26)7-8-16(17)21/h3-11H,1-2H3,(H,22,24)
InChIKeyYJIQAFRDKBNIPX-UHFFFAOYSA-N
XLogP4.46
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
CID 75479712
5-(4-acetylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 2557228
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
5-(4-acetylphenyl)-N-(4-methylphenyl)furan-2-carboxamide
CID 9291217
5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide
CID 23995235
5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688518
5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 4965545
N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 23819573
5-(4-acetylphenyl)-N-pyridin-4-ylfuran-2-carboxamide
CID 18109203
5-[3-[(4-tert-butylbenzoyl)amino]-4-chlorophenyl]furan-2-carboxylic acid
CID 91688516
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide
CID 106685589

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide (CID 91332833) is 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is YJIQAFRDKBNIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5S/c1-12(23)13-3-5-14(6-4-13)18-9-10-19(27-18)20(24)22-17-11-15(28(2,25)26)7-8-16(17)21/h3-11H,1-2H3,(H,22,24).
What are the key properties of 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide?
5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 417.87 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 91332833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).