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

C29H35NO4S — CID 21047239

IUPACN-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(C(=O)NCc3c(OC)cccc3OC)s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H35NO4S/c1-28(2)13-14-29(3,4)21-16-24(34-7)18(15-20(21)28)25-11-12-26(35-25)27(31)30-17-19-22(32-5)9-8-10-23(19)33-6/h8-12,15-16H,13-14,17H2,1-7H3,(H,30,31)
InChIKeyNQVAKJIOXXMOFE-UHFFFAOYSA-N
MW493.67 g/mol
LogP6.72
Rot. Bonds7

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

N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide (PubChem CID 21047239) has the molecular formula C29H35NO4S and a molecular weight of 493.67 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
PubChem CID21047239
Molecular FormulaC29H35NO4S
Molecular Weight493.67 g/mol
Exact Mass493.23
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(C(=O)NCc3c(OC)cccc3OC)s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H35NO4S/c1-28(2)13-14-29(3,4)21-16-24(34-7)18(15-20(21)28)25-11-12-26(35-25)27(31)30-17-19-22(32-5)9-8-10-23(19)33-6/h8-12,15-16H,13-14,17H2,1-7H3,(H,30,31)
InChIKeyNQVAKJIOXXMOFE-UHFFFAOYSA-N
XLogP6.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.67
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 21046280
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 21046287
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
CID 21046911
N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
CID 21046941
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 55594760
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
5-(6-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 11645815
2-amino-N-[(2,6-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 20788707

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide (CID 21047239) is N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide is COc1cc2c(cc1-c1ccc(C(=O)NCc3c(OC)cccc3OC)s1)C(C)(C)CCC2(C)C.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide?
The InChIKey is NQVAKJIOXXMOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO4S/c1-28(2)13-14-29(3,4)21-16-24(34-7)18(15-20(21)28)25-11-12-26(35-25)27(31)30-17-19-22(32-5)9-8-10-23(19)33-6/h8-12,15-16H,13-14,17H2,1-7H3,(H,30,31).
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide?
N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide has a molecular weight of 493.67 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 21047239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).