N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide

C20H26N2O4S — CID 3239928

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
InChIInChI=1S/C20H26N2O4S/c1-3-22-12-6-8-16(22)13-21-20(23)18-11-10-17(26-18)14-27(24,25)19-9-5-4-7-15(19)2/h4-5,7,9-11,16H,3,6,8,12-14H2,1-2H3,(H,21,23)
InChIKeyVTIHSDHSARTLBX-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.78
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 3239928) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID3239928
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
InChIInChI=1S/C20H26N2O4S/c1-3-22-12-6-8-16(22)13-21-20(23)18-11-10-17(26-18)14-27(24,25)19-9-5-4-7-15(19)2/h4-5,7,9-11,16H,3,6,8,12-14H2,1-2H3,(H,21,23)
InChIKeyVTIHSDHSARTLBX-UHFFFAOYSA-N
XLogP2.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide (CID 3239928) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide is CCN1CCCC1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is VTIHSDHSARTLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-22-12-6-8-16(22)13-21-20(23)18-11-10-17(26-18)14-27(24,25)19-9-5-4-7-15(19)2/h4-5,7,9-11,16H,3,6,8,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 3239928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).