3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide

C14H24N2O4S — CID 113138509

IUPAC3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCN(Cc1ccco1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-12(2)6-8-15-14(17)7-9-16(21(3,18)19)11-13-5-4-10-20-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,15,17)
InChIKeyMENYHRYIWGIOTM-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.59
Rot. Bonds9

About 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide

3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 113138509) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
PubChem CID113138509
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCN(Cc1ccco1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O4S/c1-12(2)6-8-15-14(17)7-9-16(21(3,18)19)11-13-5-4-10-20-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,15,17)
InChIKeyMENYHRYIWGIOTM-UHFFFAOYSA-N
XLogP1.59
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 113138485
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113138491
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methylbutyl)propanamide
CID 113139337
2-ethyl-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]butanamide
CID 113066453
N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138527
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113138556
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
N-(2,4-dichlorophenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138586
N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138558
2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
CID 113066480
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113138450

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide (CID 113138509) is 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCN(Cc1ccco1)S(C)(=O)=O.
What is the InChIKey of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is MENYHRYIWGIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-12(2)6-8-15-14(17)7-9-16(21(3,18)19)11-13-5-4-10-20-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,15,17).
What are the key properties of 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide?
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 316.42 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113138509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).