7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C22H22N2O2S — CID 167768521

IUPAC7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)N(Cc1ccsc1)c1cccnc1)CCC2
InChIInChI=1S/C22H22N2O2S/c1-26-19-8-7-17-4-2-6-20(21(17)12-19)22(25)24(14-16-9-11-27-15-16)18-5-3-10-23-13-18/h3,5,7-13,15,20H,2,4,6,14H2,1H3
InChIKeyKNKXBAMLFUIBHX-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.80
Rot. Bonds5

About 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 167768521) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID167768521
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)N(Cc1ccsc1)c1cccnc1)CCC2
InChIInChI=1S/C22H22N2O2S/c1-26-19-8-7-17-4-2-6-20(21(17)12-19)22(25)24(14-16-9-11-27-15-16)18-5-3-10-23-13-18/h3,5,7-13,15,20H,2,4,6,14H2,1H3
InChIKeyKNKXBAMLFUIBHX-UHFFFAOYSA-N
XLogP4.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-7-methoxy-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597321
7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597184
N-(2,4-dimethoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597397
N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 5311121
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124483
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10204678
(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124887400
(1S)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;ethanol;dihydrochloride
CID 67184573
(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129402819
2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 94661738
1-(2-methoxyethyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophen-3-ylmethyl)urea
CID 126423557
(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050038

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 167768521) is 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc2c(c1)C(C(=O)N(Cc1ccsc1)c1cccnc1)CCC2.
What is the InChIKey of 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is KNKXBAMLFUIBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-26-19-8-7-17-4-2-6-20(21(17)12-19)22(25)24(14-16-9-11-27-15-16)18-5-3-10-23-13-18/h3,5,7-13,15,20H,2,4,6,14H2,1H3.
What are the key properties of 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 167768521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).