5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide

C22H22ClNO4S — CID 46513558

IUPAC5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO4S/c1-15(2)21(16-8-10-17(23)11-9-16)24-22(25)20-13-12-18(28-20)14-29(26,27)19-6-4-3-5-7-19/h3-13,15,21H,14H2,1-2H3,(H,24,25)
InChIKeyXQJHGVYJDWITEL-UHFFFAOYSA-N
MW431.94 g/mol
LogP5.03
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide (PubChem CID 46513558) has the molecular formula C22H22ClNO4S and a molecular weight of 431.94 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
PubChem CID46513558
Molecular FormulaC22H22ClNO4S
Molecular Weight431.94 g/mol
Exact Mass431.10
IUPAC Name5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO4S/c1-15(2)21(16-8-10-17(23)11-9-16)24-22(25)20-13-12-18(28-20)14-29(26,27)19-6-4-3-5-7-19/h3-13,15,21H,14H2,1-2H3,(H,24,25)
InChIKeyXQJHGVYJDWITEL-UHFFFAOYSA-N
XLogP5.03
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.94
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide
CID 26362090
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 16603694
5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide
CID 9350129
5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide
CID 51157629
5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 24524461
5-[[[1-(4-chlorophenyl)-2-methylpropyl]amino]methyl]furan-2-carboxylic acid
CID 63316509
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 75429137

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide (CID 46513558) is 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide?
The InChIKey is XQJHGVYJDWITEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO4S/c1-15(2)21(16-8-10-17(23)11-9-16)24-22(25)20-13-12-18(28-20)14-29(26,27)19-6-4-3-5-7-19/h3-13,15,21H,14H2,1-2H3,(H,24,25).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide has a molecular weight of 431.94 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide is sourced from PubChem (CID 46513558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).