2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide

C20H21N3O3S — CID 9054165

IUPAC2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3sccc3C(N)=O)ccc2c1
InChIInChI=1S/C20H21N3O3S/c1-23(12-18(24)22-20-17(19(21)25)7-8-27-20)11-13-3-4-15-10-16(26-2)6-5-14(15)9-13/h3-10H,11-12H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyXOCJOXOGEGATNG-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.08
Rot. Bonds7

About 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 9054165) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
PubChem CID9054165
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3sccc3C(N)=O)ccc2c1
InChIInChI=1S/C20H21N3O3S/c1-23(12-18(24)22-20-17(19(21)25)7-8-27-20)11-13-3-4-15-10-16(26-2)6-5-14(15)9-13/h3-10H,11-12H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyXOCJOXOGEGATNG-UHFFFAOYSA-N
XLogP3.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide (CID 9054165) is 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide is COc1ccc2cc(CN(C)CC(=O)Nc3sccc3C(N)=O)ccc2c1.
What is the InChIKey of 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is XOCJOXOGEGATNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23(12-18(24)22-20-17(19(21)25)7-8-27-20)11-13-3-4-15-10-16(26-2)6-5-14(15)9-13/h3-10H,11-12H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9054165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).