N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

C16H20N2O5S — CID 133255406

IUPACN-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccco2)NS(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-22-13-7-5-12(6-8-13)15(18-24(2,20)21)10-16(19)17-11-14-4-3-9-23-14/h3-9,15,18H,10-11H2,1-2H3,(H,17,19)
InChIKeyNIXGLUOGTQSJNW-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.59
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (PubChem CID 133255406) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
PubChem CID133255406
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccco2)NS(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-22-13-7-5-12(6-8-13)15(18-24(2,20)21)10-16(19)17-11-14-4-3-9-23-14/h3-9,15,18H,10-11H2,1-2H3,(H,17,19)
InChIKeyNIXGLUOGTQSJNW-UHFFFAOYSA-N
XLogP1.59
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 100784037
1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 97185684
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133241816
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784235
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255458
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
CID 100784113
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
3-(furan-2-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid
CID 154839721
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (CID 133255406) is N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)NCc2ccco2)NS(C)(=O)=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The InChIKey is NIXGLUOGTQSJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-22-13-7-5-12(6-8-13)15(18-24(2,20)21)10-16(19)17-11-14-4-3-9-23-14/h3-9,15,18H,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide has a molecular weight of 352.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 133255406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).