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

C24H33NO2S2 — CID 21046287

IUPAC5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(C(=O)NCCCSC)s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H33NO2S2/c1-23(2)10-11-24(3,4)18-15-19(27-5)16(14-17(18)23)20-8-9-21(29-20)22(26)25-12-7-13-28-6/h8-9,14-15H,7,10-13H2,1-6H3,(H,25,26)
InChIKeyJAYDOPSMCRGMNG-UHFFFAOYSA-N
MW431.67 g/mol
LogP6.26
Rot. Bonds7

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

5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide (PubChem CID 21046287) has the molecular formula C24H33NO2S2 and a molecular weight of 431.67 g/mol. Its IUPAC name is 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
PubChem CID21046287
Molecular FormulaC24H33NO2S2
Molecular Weight431.67 g/mol
Exact Mass431.20
IUPAC Name5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(C(=O)NCCCSC)s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H33NO2S2/c1-23(2)10-11-24(3,4)18-15-19(27-5)16(14-17(18)23)20-8-9-21(29-20)22(26)25-12-7-13-28-6/h8-9,14-15H,7,10-13H2,1-6H3,(H,25,26)
InChIKeyJAYDOPSMCRGMNG-UHFFFAOYSA-N
XLogP6.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.67
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[(2,6-dimethoxyphenyl)methyl]-5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carboxamide
CID 21047239
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 21046280
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
5-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 71958546
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
4-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzamide
CID 78994367
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
3-[2-methoxy-5-(3-methylsulfanylpropylcarbamoyl)phenyl]prop-2-enoic acid
CID 76996666
3-[3-methyl-5-(3-methylsulfanylpropylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79997109
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
N-[3-(dimethylamino)propyl]-5-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 177365606

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide (CID 21046287) is 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide is COc1cc2c(cc1-c1ccc(C(=O)NCCCSC)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-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
The InChIKey is JAYDOPSMCRGMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2S2/c1-23(2)10-11-24(3,4)18-15-19(27-5)16(14-17(18)23)20-8-9-21(29-20)22(26)25-12-7-13-28-6/h8-9,14-15H,7,10-13H2,1-6H3,(H,25,26).
What are the key properties of 5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide has a molecular weight of 431.67 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-(3-methylsulfanylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 21046287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).