N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide

C16H17NOS2 — CID 8893170

IUPACN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCSc3ccccc32)c(C)s1
InChIInChI=1S/C16H17NOS2/c1-10-9-13(11(2)20-10)16(18)17-14-7-8-19-15-6-4-3-5-12(14)15/h3-6,9,14H,7-8H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyBFYOPIMPVUBKDF-AWEZNQCLSA-N
MW303.45 g/mol
LogP4.33
Rot. Bonds2

About N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 8893170) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID8893170
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCSc3ccccc32)c(C)s1
InChIInChI=1S/C16H17NOS2/c1-10-9-13(11(2)20-10)16(18)17-14-7-8-19-15-6-4-3-5-12(14)15/h3-6,9,14H,7-8H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyBFYOPIMPVUBKDF-AWEZNQCLSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976311
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336899
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18193189
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide
CID 41415902
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 39017514
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 39546539

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide (CID 8893170) is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)N[C@H]2CCSc3ccccc32)c(C)s1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is BFYOPIMPVUBKDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NOS2/c1-10-9-13(11(2)20-10)16(18)17-14-7-8-19-15-6-4-3-5-12(14)15/h3-6,9,14H,7-8H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide?
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 8893170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).