3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide

C20H18ClNO4S — CID 46664583

IUPAC3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18ClNO4S/c1-22(13-15-6-5-7-17(21)12-15)20(23)19-16(10-11-26-19)14-27(24,25)18-8-3-2-4-9-18/h2-12H,13-14H2,1H3
InChIKeyRXUXNIWZPQCEPY-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.18
Rot. Bonds6

About 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide

3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 46664583) has the molecular formula C20H18ClNO4S and a molecular weight of 403.89 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
PubChem CID46664583
Molecular FormulaC20H18ClNO4S
Molecular Weight403.89 g/mol
Exact Mass403.06
IUPAC Name3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18ClNO4S/c1-22(13-15-6-5-7-17(21)12-15)20(23)19-16(10-11-26-19)14-27(24,25)18-8-3-2-4-9-18/h2-12H,13-14H2,1H3
InChIKeyRXUXNIWZPQCEPY-UHFFFAOYSA-N
XLogP4.18
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 51283759
N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide
CID 134044846
3-(benzenesulfonylmethyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55466072
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid
CID 104607255
N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
CID 110409524
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78829783
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
2-[4-[(3-chlorophenyl)methylsulfonyl]phenyl]acetic acid
CID 43440403
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 46446299
N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 18112537

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide (CID 46664583) is 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is RXUXNIWZPQCEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4S/c1-22(13-15-6-5-7-17(21)12-15)20(23)19-16(10-11-26-19)14-27(24,25)18-8-3-2-4-9-18/h2-12H,13-14H2,1H3.
What are the key properties of 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 46664583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).