N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide

C19H18N2O4S — CID 9125192

IUPACN-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccco2)c2cccnc2)cc1
InChIInChI=1S/C19H18N2O4S/c1-14-6-8-16(9-7-14)26(23,24)18(15-4-2-10-20-12-15)13-21-19(22)17-5-3-11-25-17/h2-12,18H,13H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyJMVPELHZYPTMBK-SFHVURJKSA-N
MW370.43 g/mol
LogP2.93
Rot. Bonds6

About N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide

N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 9125192) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID9125192
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccco2)c2cccnc2)cc1
InChIInChI=1S/C19H18N2O4S/c1-14-6-8-16(9-7-14)26(23,24)18(15-4-2-10-20-12-15)13-21-19(22)17-5-3-11-25-17/h2-12,18H,13H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyJMVPELHZYPTMBK-SFHVURJKSA-N
XLogP2.93
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide (CID 9125192) is N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccco2)c2cccnc2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is JMVPELHZYPTMBK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-14-6-8-16(9-7-14)26(23,24)18(15-4-2-10-20-12-15)13-21-19(22)17-5-3-11-25-17/h2-12,18H,13H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 9125192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).