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

C18H21NOS — CID 6622965

IUPACN-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc2c1CCCC2)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-13(14-7-3-2-4-8-14)11-19-18(20)16-12-21-17-10-6-5-9-15(16)17/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,19,20)
InChIKeyYRZJZQYFFWNYSL-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.16
Rot. Bonds4

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

N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 6622965) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID6622965
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc2c1CCCC2)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-13(14-7-3-2-4-8-14)11-19-18(20)16-12-21-17-10-6-5-9-15(16)17/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,19,20)
InChIKeyYRZJZQYFFWNYSL-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43394002
N-(1-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 20881847
N-phenacyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5262680
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55527655
2-methyl-5-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)pentanoic acid
CID 104682041
N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 20881775
(2R)-3-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)propanoic acid
CID 119367338
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
N-(3-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43016539
4-oxo-N-[(2S)-2-phenylpropyl]-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 92726344
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 8987711

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 6622965) is N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC(CNC(=O)c1csc2c1CCCC2)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is YRZJZQYFFWNYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13(14-7-3-2-4-8-14)11-19-18(20)16-12-21-17-10-6-5-9-15(16)17/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,19,20).
What are the key properties of N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 6622965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).