N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide

C19H18N2O2S — CID 86832135

IUPACN-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C19H18N2O2S/c1-21(18(22)11-20-19(23)16-9-10-24-13-16)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,13H,11-12H2,1H3,(H,20,23)
InChIKeyBSNJFBPUNOJEGC-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.29
Rot. Bonds5

About N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 86832135) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID86832135
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C19H18N2O2S/c1-21(18(22)11-20-19(23)16-9-10-24-13-16)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,13H,11-12H2,1H3,(H,20,23)
InChIKeyBSNJFBPUNOJEGC-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9020477
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 115173236
3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18117344
N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 9166749
N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 78802983
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 134022174
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide (CID 86832135) is N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide is CN(Cc1cccc2ccccc12)C(=O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is BSNJFBPUNOJEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-21(18(22)11-20-19(23)16-9-10-24-13-16)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,13H,11-12H2,1H3,(H,20,23).
What are the key properties of N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 86832135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).