N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

C19H17N3OS — CID 9397879

IUPACN-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1sccc1C#N)c1cccc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)21-12-18(23)22-19-15(11-20)9-10-24-19/h2-10,13,21H,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyIVWKYNDHZLXYSL-ZDUSSCGKSA-N
MW335.43 g/mol
LogP4.06
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (PubChem CID 9397879) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
PubChem CID9397879
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1sccc1C#N)c1cccc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)21-12-18(23)22-19-15(11-20)9-10-24-19/h2-10,13,21H,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyIVWKYNDHZLXYSL-ZDUSSCGKSA-N
XLogP4.06
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 25481993
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468420
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
CID 9397279
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9397574
N-(3-cyanothiophen-2-yl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393472
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396912
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732
N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998084
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-(2-phenylphenyl)acetamide
CID 9397796

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (CID 9397879) is N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is C[C@H](NCC(=O)Nc1sccc1C#N)c1cccc2ccccc12.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The InChIKey is IVWKYNDHZLXYSL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13(16-8-4-6-14-5-2-3-7-17(14)16)21-12-18(23)22-19-15(11-20)9-10-24-19/h2-10,13,21H,12H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide has a molecular weight of 335.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is sourced from PubChem (CID 9397879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).