2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide

C23H22N2O2S — CID 71911027

IUPAC2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC(c2ccccc2)C2CCCc3ccccc32)s1
InChIInChI=1S/C23H22N2O2S/c24-22(26)19-13-14-20(28-19)23(27)25-21(16-8-2-1-3-9-16)18-12-6-10-15-7-4-5-11-17(15)18/h1-5,7-9,11,13-14,18,21H,6,10,12H2,(H2,24,26)(H,25,27)
InChIKeyOASSQXGHIQZKLH-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.44
Rot. Bonds5

About 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide

2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide (PubChem CID 71911027) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide
PubChem CID71911027
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC(c2ccccc2)C2CCCc3ccccc32)s1
InChIInChI=1S/C23H22N2O2S/c24-22(26)19-13-14-20(28-19)23(27)25-21(16-8-2-1-3-9-16)18-12-6-10-15-7-4-5-11-17(15)18/h1-5,7-9,11,13-14,18,21H,6,10,12H2,(H2,24,26)(H,25,27)
InChIKeyOASSQXGHIQZKLH-UHFFFAOYSA-N
XLogP4.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(R)-phenyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]thiophene-2,5-dicarboxamide
CID 97081128
1-methyl-2-oxo-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyridine-3-carboxamide
CID 166180414
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
2-(1,2,3,4-tetrahydronaphthalen-1-yl)butanedioic acid
CID 23057353
[pyrimidin-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 105218815
N-methyl-1-(4-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 62718728
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
(1S)-N-[(1-methyltetrazol-5-yl)methyl]-1-phenyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 124872026
5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
CID 137372987
[(3,5-dimethylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 105218933
N-methyl-1-pyrimidin-5-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63250535
(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
CID 119367745

Frequently Asked Questions

What is the IUPAC name of 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide (CID 71911027) is 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)NC(c2ccccc2)C2CCCc3ccccc32)s1.
What is the InChIKey of 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide?
The InChIKey is OASSQXGHIQZKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c24-22(26)19-13-14-20(28-19)23(27)25-21(16-8-2-1-3-9-16)18-12-6-10-15-7-4-5-11-17(15)18/h1-5,7-9,11,13-14,18,21H,6,10,12H2,(H2,24,26)(H,25,27).
What are the key properties of 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide?
2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[phenyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 71911027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).