N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide

C16H18N2O3S — CID 24550978

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C16H18N2O3S/c1-12(22-14-7-3-2-4-8-14)16(20)18-11-15(19)17-10-13-6-5-9-21-13/h2-9,12H,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIAMWOQDKUZEKMC-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.19
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide (PubChem CID 24550978) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
PubChem CID24550978
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C16H18N2O3S/c1-12(22-14-7-3-2-4-8-14)16(20)18-11-15(19)17-10-13-6-5-9-21-13/h2-9,12H,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIAMWOQDKUZEKMC-UHFFFAOYSA-N
XLogP2.19
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 9452084
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 42916165
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
CID 94441497
(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580495
2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 79149778
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47783596
N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 51327723
(2R)-N-(furan-2-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421293
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide (CID 24550978) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NCC(=O)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide?
The InChIKey is IAMWOQDKUZEKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12(22-14-7-3-2-4-8-14)16(20)18-11-15(19)17-10-13-6-5-9-21-13/h2-9,12H,10-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide has a molecular weight of 318.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 24550978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).