N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide

C20H22N2OS — CID 120597719

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(C)(C(=O)NC(CN)c1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C20H22N2OS/c1-20(2,18-8-5-11-24-18)19(23)22-17(13-21)16-10-9-14-6-3-4-7-15(14)12-16/h3-12,17H,13,21H2,1-2H3,(H,22,23)
InChIKeyQWIYBCGCZAFFED-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.00
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide

N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 120597719) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide
PubChem CID120597719
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(C)(C(=O)NC(CN)c1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C20H22N2OS/c1-20(2,18-8-5-11-24-18)19(23)22-17(13-21)16-10-9-14-6-3-4-7-15(14)12-16/h3-12,17H,13,21H2,1-2H3,(H,22,23)
InChIKeyQWIYBCGCZAFFED-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 120567986
N-(1-aminohexan-2-yl)-2-methyl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119667782
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropanamide
CID 119526791
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120567542
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
N-[(1R)-2-amino-1-naphthalen-2-ylethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 170899336
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide (CID 120597719) is N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide is CC(C)(C(=O)NC(CN)c1ccc2ccccc2c1)c1cccs1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is QWIYBCGCZAFFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-20(2,18-8-5-11-24-18)19(23)22-17(13-21)16-10-9-14-6-3-4-7-15(14)12-16/h3-12,17H,13,21H2,1-2H3,(H,22,23).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide?
N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 338.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-2-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 120597719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).