N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide

C20H22N2O2S — CID 4883071

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C20H22N2O2S/c1-22(2)17(19-9-6-10-25-19)13-21-20(23)16-11-14-7-4-5-8-15(14)12-18(16)24-3/h4-12,17H,13H2,1-3H3,(H,21,23)
InChIKeyWCNGLYKQWKVZKW-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 4883071) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID4883071
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C20H22N2O2S/c1-22(2)17(19-9-6-10-25-19)13-21-20(23)16-11-14-7-4-5-8-15(14)12-18(16)24-3/h4-12,17H,13H2,1-3H3,(H,21,23)
InChIKeyWCNGLYKQWKVZKW-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide (CID 4883071) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is WCNGLYKQWKVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-22(2)17(19-9-6-10-25-19)13-21-20(23)16-11-14-7-4-5-8-15(14)12-18(16)24-3/h4-12,17H,13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 4883071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).