N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C21H22N2O2S — CID 9020477

IUPACN-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccsc1CN(C)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H22N2O2S/c1-15-10-11-26-19(15)14-23(2)21(25)13-22-20(24)12-17-8-5-7-16-6-3-4-9-18(16)17/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyLRJUCUSNSQLVLR-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.53
Rot. Bonds6

About N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 9020477) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID9020477
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccsc1CN(C)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H22N2O2S/c1-15-10-11-26-19(15)14-23(2)21(25)13-22-20(24)12-17-8-5-7-16-6-3-4-9-18(16)17/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyLRJUCUSNSQLVLR-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 86832135
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55437775
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 60579651
N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 25341725
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 9020477) is N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is Cc1ccsc1CN(C)C(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is LRJUCUSNSQLVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-10-11-26-19(15)14-23(2)21(25)13-22-20(24)12-17-8-5-7-16-6-3-4-9-18(16)17/h3-11H,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 366.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9020477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).