5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

C31H34N2O2S2 — CID 21046288

IUPAC5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(C(=O)N(Cc3cccnc3)Cc3ccsc3)s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H34N2O2S2/c1-30(2)11-12-31(3,4)25-16-26(35-5)23(15-24(25)30)27-8-9-28(37-27)29(34)33(19-22-10-14-36-20-22)18-21-7-6-13-32-17-21/h6-10,13-17,20H,11-12,18-19H2,1-5H3
InChIKeyWQPXGEGDCXHDBY-UHFFFAOYSA-N
MW530.76 g/mol
LogP8.07
Rot. Bonds7

About 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 21046288) has the molecular formula C31H34N2O2S2 and a molecular weight of 530.76 g/mol. Its IUPAC name is 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
PubChem CID21046288
Molecular FormulaC31H34N2O2S2
Molecular Weight530.76 g/mol
Exact Mass530.21
IUPAC Name5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(C(=O)N(Cc3cccnc3)Cc3ccsc3)s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C31H34N2O2S2/c1-30(2)11-12-31(3,4)25-16-26(35-5)23(15-24(25)30)27-8-9-28(37-27)29(34)33(19-22-10-14-36-20-22)18-21-7-6-13-32-17-21/h6-10,13-17,20H,11-12,18-19H2,1-5H3
InChIKeyWQPXGEGDCXHDBY-UHFFFAOYSA-N
XLogP8.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.76
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (CID 21046288) is 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is COc1cc2c(cc1-c1ccc(C(=O)N(Cc3cccnc3)Cc3ccsc3)s1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is WQPXGEGDCXHDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2S2/c1-30(2)11-12-31(3,4)25-16-26(35-5)23(15-24(25)30)27-8-9-28(37-27)29(34)33(19-22-10-14-36-20-22)18-21-7-6-13-32-17-21/h6-10,13-17,20H,11-12,18-19H2,1-5H3.
What are the key properties of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 530.76 g/mol, XLogP of 8.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 21046288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).