N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide

C30H37NO4S — CID 21046911

About N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide (PubChem CID 21046911) has the molecular formula C30H37NO4S and a molecular weight of 507.70 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
• PubChem CID: 21046911
• Molecular Formula: C30H37NO4S
• Molecular Weight: 507.70 g/mol
• Exact Mass: 507.24
• IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
• SMILES: COc1ccc(OC)c(CCNC(=O)c2ccc(-c3cc4c(cc3OC)C(C)(C)CCC4(C)C)s2)c1
• InChI: InChI=1S/C30H37NO4S/c1-29(2)13-14-30(3,4)23-18-25(35-7)21(17-22(23)29)26-10-11-27(36-26)28(32)31-15-12-19-16-20(33-5)8-9-24(19)34-6/h8-11,16-18H,12-15H2,1-7H3,(H,31,32)
• InChIKey: HKNKQFXSQRRFNY-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.70
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide?

The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide (CID 21046911) is N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide.

What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide?

The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide is COc1ccc(OC)c(CCNC(=O)c2ccc(-c3cc4c(cc3OC)C(C)(C)CCC4(C)C)s2)c1.

What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide?

The InChIKey is HKNKQFXSQRRFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO4S/c1-29(2)13-14-30(3,4)23-18-25(35-7)21(17-22(23)29)26-10-11-27(36-26)28(32)31-15-12-19-16-20(33-5)8-9-24(19)34-6/h8-11,16-18H,12-15H2,1-7H3,(H,31,32).

What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide?

N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide has a molecular weight of 507.70 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 21046911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).