5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide

C21H21NO4S — CID 32906703

IUPAC5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H21NO4S/c1-16(17-9-5-3-6-10-17)22(2)21(23)20-14-13-18(26-20)15-27(24,25)19-11-7-4-8-12-19/h3-14,16H,15H2,1-2H3/t16-/m1/s1
InChIKeyOFIMYMJXEWCOPN-MRXNPFEDSA-N
MW383.47 g/mol
LogP4.09
Rot. Bonds6

About 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide (PubChem CID 32906703) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
PubChem CID32906703
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H21NO4S/c1-16(17-9-5-3-6-10-17)22(2)21(23)20-14-13-18(26-20)15-27(24,25)19-11-7-4-8-12-19/h3-14,16H,15H2,1-2H3/t16-/m1/s1
InChIKeyOFIMYMJXEWCOPN-MRXNPFEDSA-N
XLogP4.09
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42943143
5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide
CID 26362090
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-(benzenesulfonylmethyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 27807328
5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 46513558
5-(benzenesulfonylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylfuran-2-carboxamide
CID 26266371
5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide
CID 9350129
[(1S,6R)-6-methylcyclohex-3-en-1-yl]methyl 5-(benzenesulfonylmethyl)furan-2-carboxylate
CID 51728783
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide (CID 32906703) is 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide is C[C@H](c1ccccc1)N(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide?
The InChIKey is OFIMYMJXEWCOPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-16(17-9-5-3-6-10-17)22(2)21(23)20-14-13-18(26-20)15-27(24,25)19-11-7-4-8-12-19/h3-14,16H,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 32906703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).