3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide

C17H22N2O6S — CID 2822846

IUPAC3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H22N2O6S/c1-18-17(20)8-9-19(12-13-5-4-10-25-13)26(21,22)14-6-7-15(23-2)16(11-14)24-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,18,20)
InChIKeyZFFHHDHVYNVXRA-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.62
Rot. Bonds9

About 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide

3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide (PubChem CID 2822846) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide
PubChem CID2822846
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H22N2O6S/c1-18-17(20)8-9-19(12-13-5-4-10-25-13)26(21,22)14-6-7-15(23-2)16(11-14)24-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,18,20)
InChIKeyZFFHHDHVYNVXRA-UHFFFAOYSA-N
XLogP1.62
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide (CID 2822846) is 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide is CNC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide?
The InChIKey is ZFFHHDHVYNVXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-18-17(20)8-9-19(12-13-5-4-10-25-13)26(21,22)14-6-7-15(23-2)16(11-14)24-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,18,20).
What are the key properties of 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide?
3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide has a molecular weight of 382.44 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 2822846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).