3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide

C15H18N2O3S — CID 42950327

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCSCC(N)=O)c1cc2ccccc2o1
InChIInChI=1S/C15H18N2O3S/c1-10(17-15(19)6-7-21-9-14(16)18)13-8-11-4-2-3-5-12(11)20-13/h2-5,8,10H,6-7,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyCDZFFSQUADYMHU-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.22
Rot. Bonds7

About 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide (PubChem CID 42950327) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
PubChem CID42950327
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCSCC(N)=O)c1cc2ccccc2o1
InChIInChI=1S/C15H18N2O3S/c1-10(17-15(19)6-7-21-9-14(16)18)13-8-11-4-2-3-5-12(11)20-13/h2-5,8,10H,6-7,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyCDZFFSQUADYMHU-UHFFFAOYSA-N
XLogP2.22
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 9367760
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide (CID 42950327) is 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide is CC(NC(=O)CCSCC(N)=O)c1cc2ccccc2o1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide?
The InChIKey is CDZFFSQUADYMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(17-15(19)6-7-21-9-14(16)18)13-8-11-4-2-3-5-12(11)20-13/h2-5,8,10H,6-7,9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide has a molecular weight of 306.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 42950327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).