5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide

C21H21NO4S — CID 46590352

IUPAC5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C21H21NO4S/c1-15-8-10-17(11-9-15)16(2)22-21(23)20-13-12-18(26-20)14-27(24,25)19-6-4-3-5-7-19/h3-13,16H,14H2,1-2H3,(H,22,23)
InChIKeyPOIAIAVLNMOVGJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.05
Rot. Bonds6

About 5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide (PubChem CID 46590352) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
PubChem CID46590352
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C21H21NO4S/c1-15-8-10-17(11-9-15)16(2)22-21(23)20-13-12-18(26-20)14-27(24,25)19-6-4-3-5-7-19/h3-13,16H,14H2,1-2H3,(H,22,23)
InChIKeyPOIAIAVLNMOVGJ-UHFFFAOYSA-N
XLogP4.05
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 46513558
5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide
CID 26362090
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 95615306
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 5-(benzenesulfonylmethyl)furan-2-carboxylate
CID 31402857
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
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-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 75429137
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 32906703

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide (CID 46590352) is 5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide is Cc1ccc(C(C)NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is POIAIAVLNMOVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-15-8-10-17(11-9-15)16(2)22-21(23)20-13-12-18(26-20)14-27(24,25)19-6-4-3-5-7-19/h3-13,16H,14H2,1-2H3,(H,22,23).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.05, 6 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-methylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 46590352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).