N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide

C17H24N2O2S — CID 17489066

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCC3CCCCC3C2)s1
InChIInChI=1S/C17H24N2O2S/c1-11(20)18-16-9-8-15(22-16)17(21)19-14-7-6-12-4-2-3-5-13(12)10-14/h8-9,12-14H,2-7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyDFPCUBSLWAHWGF-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.80
Rot. Bonds3

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide (PubChem CID 17489066) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide
PubChem CID17489066
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCC3CCCCC3C2)s1
InChIInChI=1S/C17H24N2O2S/c1-11(20)18-16-9-8-15(22-16)17(21)19-14-7-6-12-4-2-3-5-13(12)10-14/h8-9,12-14H,2-7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyDFPCUBSLWAHWGF-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide with MolForge

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 17461470
5-(cyclopropanecarbonylamino)-N-[1-(2,4-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 17513140
5-(cyclopropanecarbonylamino)-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 17521008
5-(cyclopropanecarbonylamino)-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 17524259
5-(cyclopropanecarbonylamino)-N-[1-(4-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 17525205
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18164963
5-acetamido-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 18168526
5-acetamido-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 18291995
5-(2,2-dimethylpropanoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 22831295
5-(2,2-dimethylpropanoylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylthiophene-2-carboxamide
CID 24625584
5-acetamido-N-[1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 24635445
5-(cyclopropanecarbonylamino)-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24658652

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide (CID 17489066) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC2CCC3CCCCC3C2)s1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide?
The InChIKey is DFPCUBSLWAHWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-11(20)18-16-9-8-15(22-16)17(21)19-14-7-6-12-4-2-3-5-13(12)10-14/h8-9,12-14H,2-7,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-acetamidothiophene-2-carboxamide is sourced from PubChem (CID 17489066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).