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

C19H20N2O2S — CID 42953753

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2ccccc2cc1O)c1ccsc1
InChIInChI=1S/C19H20N2O2S/c1-21(2)17(15-7-8-24-12-15)11-20-19(23)16-9-13-5-3-4-6-14(13)10-18(16)22/h3-10,12,17,22H,11H2,1-2H3,(H,20,23)
InChIKeyHQUFLKQOVKMVPB-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.64
Rot. Bonds5

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

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 42953753) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID42953753
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2ccccc2cc1O)c1ccsc1
InChIInChI=1S/C19H20N2O2S/c1-21(2)17(15-7-8-24-12-15)11-20-19(23)16-9-13-5-3-4-6-14(13)10-18(16)22/h3-10,12,17,22H,11H2,1-2H3,(H,20,23)
InChIKeyHQUFLKQOVKMVPB-UHFFFAOYSA-N
XLogP3.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-hydroxybenzamide
CID 32631312
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 2121688
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylsulfonylbenzamide
CID 33090690
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
CID 30856572
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide
CID 47024547
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide
CID 55660430

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide (CID 42953753) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide is CN(C)C(CNC(=O)c1cc2ccccc2cc1O)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is HQUFLKQOVKMVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-21(2)17(15-7-8-24-12-15)11-20-19(23)16-9-13-5-3-4-6-14(13)10-18(16)22/h3-10,12,17,22H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 42953753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).