N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide

C13H13NOS2 — CID 64593278

IUPACN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCc2sccc21)c1cccs1
InChIInChI=1S/C13H13NOS2/c15-13(12-5-2-7-16-12)14-10-3-1-4-11-9(10)6-8-17-11/h2,5-8,10H,1,3-4H2,(H,14,15)
InChIKeyCWVMEULTQYFTGE-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.62
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide

N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide (PubChem CID 64593278) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
PubChem CID64593278
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCc2sccc21)c1cccs1
InChIInChI=1S/C13H13NOS2/c15-13(12-5-2-7-16-12)14-10-3-1-4-11-9(10)6-8-17-11/h2,5-8,10H,1,3-4H2,(H,14,15)
InChIKeyCWVMEULTQYFTGE-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711
4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844058
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668
2,2,2-trichloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 13037002
2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 103515455
4-(bromomethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 102851620
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62842162
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 115930522
5-(3-aminoprop-1-ynyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 62845316
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385
2-(ethylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843224
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide
CID 63770554

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide (CID 64593278) is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide is O=C(NC1CCCc2sccc21)c1cccs1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide?
The InChIKey is CWVMEULTQYFTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c15-13(12-5-2-7-16-12)14-10-3-1-4-11-9(10)6-8-17-11/h2,5-8,10H,1,3-4H2,(H,14,15).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide?
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide has a molecular weight of 263.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 64593278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).