5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C20H20N2O4S — CID 3242582

IUPAC5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1
InChIInChI=1S/C20H20N2O4S/c1-15-4-6-16(7-5-15)13-27(24,25)14-18-8-9-19(26-18)20(23)22-12-17-3-2-10-21-11-17/h2-11H,12-14H2,1H3,(H,22,23)
InChIKeySAJMAYVMXOHUDU-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.03
Rot. Bonds7

About 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 3242582) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID3242582
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1
InChIInChI=1S/C20H20N2O4S/c1-15-4-6-16(7-5-15)13-27(24,25)14-18-8-9-19(26-18)20(23)22-12-17-3-2-10-21-11-17/h2-11H,12-14H2,1H3,(H,22,23)
InChIKeySAJMAYVMXOHUDU-UHFFFAOYSA-N
XLogP3.03
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 903714
N-ethyl-5-methyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 6468617
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinylmethyl)-2-furamide
CID 5210485
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(pyridin-3-YL)methyl]acetamide
CID 5307949
N-(4-(phenylsulfonyl)benzyl)furo[2,3-c]pyridine-2-carboxamide
CID 68277935
N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]carbamic acid phenyl ester
CID 71727460
N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71727683
N-[[4-(oxan-4-ylsulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 89785082
US10696692, Example 180
CID 89795553
US10696692, Example 357
CID 89795599
N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 89795666
N-[[4-[1-(2-methylpropyl)piperidin-4-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 89795796

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 3242582) is 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is SAJMAYVMXOHUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-15-4-6-16(7-5-15)13-27(24,25)14-18-8-9-19(26-18)20(23)22-12-17-3-2-10-21-11-17/h2-11H,12-14H2,1H3,(H,22,23).
What are the key properties of 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3242582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).