N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide

C25H24N2OS — CID 8866227

IUPACN-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESC[C@H](NC(=O)CN[C@H](c1ccccc1)c1cccs1)c1cccc2ccccc12
InChIInChI=1S/C25H24N2OS/c1-18(21-14-7-12-19-9-5-6-13-22(19)21)27-24(28)17-26-25(23-15-8-16-29-23)20-10-3-2-4-11-20/h2-16,18,25-26H,17H2,1H3,(H,27,28)/t18-,25+/m0/s1
InChIKeyXGTZIZJSOUQADW-AVRWGWEMSA-N
MW400.55 g/mol
LogP5.46
Rot. Bonds7

About N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide

N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide (PubChem CID 8866227) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
PubChem CID8866227
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC NameN-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESC[C@H](NC(=O)CN[C@H](c1ccccc1)c1cccs1)c1cccc2ccccc12
InChIInChI=1S/C25H24N2OS/c1-18(21-14-7-12-19-9-5-6-13-22(19)21)27-24(28)17-26-25(23-15-8-16-29-23)20-10-3-2-4-11-20/h2-16,18,25-26H,17H2,1H3,(H,27,28)/t18-,25+/m0/s1
InChIKeyXGTZIZJSOUQADW-AVRWGWEMSA-N
XLogP5.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 18088428
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
N-[(2R)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862218
N-[(2S)-4-phenylbutan-2-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8862203
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
methyl 4-[[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]methyl]benzoate
CID 9050488
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 8867924

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide (CID 8866227) is N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide is C[C@H](NC(=O)CN[C@H](c1ccccc1)c1cccs1)c1cccc2ccccc12.
What is the InChIKey of N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The InChIKey is XGTZIZJSOUQADW-AVRWGWEMSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-18(21-14-7-12-19-9-5-6-13-22(19)21)27-24(28)17-26-25(23-15-8-16-29-23)20-10-3-2-4-11-20/h2-16,18,25-26H,17H2,1H3,(H,27,28)/t18-,25+/m0/s1.
What are the key properties of N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide has a molecular weight of 400.55 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 8866227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).