3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

C20H21N3O4S — CID 46374917

IUPAC3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)NCc2cccnc2)c2ccco2)cc1
InChIInChI=1S/C20H21N3O4S/c1-15-6-8-17(9-7-15)28(25,26)23-18(19-5-3-11-27-19)12-20(24)22-14-16-4-2-10-21-13-16/h2-11,13,18,23H,12,14H2,1H3,(H,22,24)
InChIKeyXVANPDDDMYFMMJ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.71
Rot. Bonds8

About 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide

3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 46374917) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID46374917
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)NCc2cccnc2)c2ccco2)cc1
InChIInChI=1S/C20H21N3O4S/c1-15-6-8-17(9-7-15)28(25,26)23-18(19-5-3-11-27-19)12-20(24)22-14-16-4-2-10-21-13-16/h2-11,13,18,23H,12,14H2,1H3,(H,22,24)
InChIKeyXVANPDDDMYFMMJ-UHFFFAOYSA-N
XLogP2.71
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide (CID 46374917) is 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is Cc1ccc(S(=O)(=O)NC(CC(=O)NCc2cccnc2)c2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is XVANPDDDMYFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-15-6-8-17(9-7-15)28(25,26)23-18(19-5-3-11-27-19)12-20(24)22-14-16-4-2-10-21-13-16/h2-11,13,18,23H,12,14H2,1H3,(H,22,24).
What are the key properties of 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide?
3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 399.47 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 46374917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).