N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C19H21NOS — CID 55339840

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H21NOS/c21-19(18-12-15-7-3-4-8-17(15)22-18)20-16-10-9-13-5-1-2-6-14(13)11-16/h1-2,5-6,12,16H,3-4,7-11H2,(H,20,21)
InChIKeyRWCPMOXZEGRTAS-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.91
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 55339840) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID55339840
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H21NOS/c21-19(18-12-15-7-3-4-8-17(15)22-18)20-16-10-9-13-5-1-2-6-14(13)11-16/h1-2,5-6,12,16H,3-4,7-11H2,(H,20,21)
InChIKeyRWCPMOXZEGRTAS-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-(4-oxocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43652917
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031724
cis-(1R,3S)-3-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 120678419
N-[(3S)-1,1-dioxothiolan-3-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 27710092
N-(3,3-dimethylcyclopentyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 114550474
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 119456368
N-(2-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 120600778
N-(3-aminocyclobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43595018
N-(3,3-dimethylcyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 115881776
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1,3-thiazole-5-carboxamide
CID 91516996

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 55339840) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is O=C(NC1CCc2ccccc2C1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is RWCPMOXZEGRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c21-19(18-12-15-7-3-4-8-17(15)22-18)20-16-10-9-13-5-1-2-6-14(13)11-16/h1-2,5-6,12,16H,3-4,7-11H2,(H,20,21).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55339840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).