3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide

C20H20N2O4S — CID 52906802

IUPAC3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C20H20N2O4S/c23-20(11-14-27(24,25)19-9-2-1-3-10-19)22(16-18-8-6-13-26-18)15-17-7-4-5-12-21-17/h1-10,12-13H,11,14-16H2
InChIKeyWCKIUJUKYVVNKC-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.07
Rot. Bonds8

About 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide

3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 52906802) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID52906802
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C20H20N2O4S/c23-20(11-14-27(24,25)19-9-2-1-3-10-19)22(16-18-8-6-13-26-18)15-17-7-4-5-12-21-17/h1-10,12-13H,11,14-16H2
InChIKeyWCKIUJUKYVVNKC-UHFFFAOYSA-N
XLogP3.07
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084805
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 46993186
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084660
5-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084721

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide (CID 52906802) is 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is WCKIUJUKYVVNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-20(11-14-27(24,25)19-9-2-1-3-10-19)22(16-18-8-6-13-26-18)15-17-7-4-5-12-21-17/h1-10,12-13H,11,14-16H2.
What are the key properties of 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide?
3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 384.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 52906802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).