N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide

C13H22N2O2S — CID 113494652

IUPACN-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide
SMILESCCC(CSC)NC(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H22N2O2S/c1-4-11(9-18-3)15-10(2)13(16)14-8-12-6-5-7-17-12/h5-7,10-11,15H,4,8-9H2,1-3H3,(H,14,16)
InChIKeyQWECPKKIYNUICI-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.02
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide

N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide (PubChem CID 113494652) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide
PubChem CID113494652
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide
SMILESCCC(CSC)NC(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H22N2O2S/c1-4-11(9-18-3)15-10(2)13(16)14-8-12-6-5-7-17-12/h5-7,10-11,15H,4,8-9H2,1-3H3,(H,14,16)
InChIKeyQWECPKKIYNUICI-UHFFFAOYSA-N
XLogP2.02
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
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N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
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2-bromo-N-(furan-2-ylmethyl)butanamide
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2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
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2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide (CID 113494652) is N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide is CCC(CSC)NC(C)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide?
The InChIKey is QWECPKKIYNUICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-11(9-18-3)15-10(2)13(16)14-8-12-6-5-7-17-12/h5-7,10-11,15H,4,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide?
N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide has a molecular weight of 270.40 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide is sourced from PubChem (CID 113494652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).