N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide

C18H22N2O2S — CID 56793655

IUPACN-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NC(Cc1ccccc1)c1sccc1C
InChIInChI=1S/C18H22N2O2S/c1-3-16(21)19-12-17(22)20-15(18-13(2)9-10-23-18)11-14-7-5-4-6-8-14/h4-10,15H,3,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYAZJMDVCNVXSAE-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.98
Rot. Bonds7

About N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide

N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide (PubChem CID 56793655) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide
PubChem CID56793655
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NC(Cc1ccccc1)c1sccc1C
InChIInChI=1S/C18H22N2O2S/c1-3-16(21)19-12-17(22)20-15(18-13(2)9-10-23-18)11-14-7-5-4-6-8-14/h4-10,15H,3,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyYAZJMDVCNVXSAE-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
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Proline scaffold, 28
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2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
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N'-[(2-methylphenyl)methyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
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(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
Ac(1)-Phe-Ile-Gln-Asn-Met(1)-N(thien-2-ylmethyl)Gly-Leu-Gly-NH2
CID 118720290
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
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CID 2914787
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
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N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 4651361

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide (CID 56793655) is N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)NC(Cc1ccccc1)c1sccc1C.
What is the InChIKey of N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is YAZJMDVCNVXSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-16(21)19-12-17(22)20-15(18-13(2)9-10-23-18)11-14-7-5-4-6-8-14/h4-10,15H,3,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide?
N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 330.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 56793655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).