5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide

C29H35NO5S — CID 10301106

IUPAC5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Sc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1
InChIInChI=1S/C29H35NO5S/c1-17-13-19-20(29(4,5)12-11-28(19,2)3)16-24(17)36-25-10-9-21(35-25)27(31)30-26-22(33-7)14-18(32-6)15-23(26)34-8/h9-10,13-16H,11-12H2,1-8H3,(H,30,31)
InChIKeyJZSSPTHVFWEXEW-UHFFFAOYSA-N
MW509.67 g/mol
LogP7.37
Rot. Bonds7

About 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide

5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide (PubChem CID 10301106) has the molecular formula C29H35NO5S and a molecular weight of 509.67 g/mol. Its IUPAC name is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
PubChem CID10301106
Molecular FormulaC29H35NO5S
Molecular Weight509.67 g/mol
Exact Mass509.22
IUPAC Name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Sc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1
InChIInChI=1S/C29H35NO5S/c1-17-13-19-20(29(4,5)12-11-28(19,2)3)16-24(17)36-25-10-9-21(35-25)27(31)30-26-22(33-7)14-18(32-6)15-23(26)34-8/h9-10,13-16H,11-12H2,1-8H3,(H,30,31)
InChIKeyJZSSPTHVFWEXEW-UHFFFAOYSA-N
XLogP7.37
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.67
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide (CID 10301106) is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide is COc1cc(OC)c(NC(=O)c2ccc(Sc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1.
What is the InChIKey of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide?
The InChIKey is JZSSPTHVFWEXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO5S/c1-17-13-19-20(29(4,5)12-11-28(19,2)3)16-24(17)36-25-10-9-21(35-25)27(31)30-26-22(33-7)14-18(32-6)15-23(26)34-8/h9-10,13-16H,11-12H2,1-8H3,(H,30,31).
What are the key properties of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide?
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide has a molecular weight of 509.67 g/mol, XLogP of 7.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 10301106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).