N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide

C15H15NOS2 — CID 47106126

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C15H15NOS2/c1-10-6-8-19-14(10)15(17)16-12-7-9-18-13-5-3-2-4-11(12)13/h2-6,8,12H,7,9H2,1H3,(H,16,17)
InChIKeyHLVJDKJQQHUFBG-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.02
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide (PubChem CID 47106126) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
PubChem CID47106126
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C15H15NOS2/c1-10-6-8-19-14(10)15(17)16-12-7-9-18-13-5-3-2-4-11(12)13/h2-6,8,12H,7,9H2,1H3,(H,16,17)
InChIKeyHLVJDKJQQHUFBG-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
CID 31284395
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976311
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 39546539
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide
CID 41415902
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-benzodioxole-5-carboxamide
CID 9118142

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide (CID 47106126) is N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is HLVJDKJQQHUFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS2/c1-10-6-8-19-14(10)15(17)16-12-7-9-18-13-5-3-2-4-11(12)13/h2-6,8,12H,7,9H2,1H3,(H,16,17).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 289.43 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 47106126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).