5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide

C16H16N2O2S2 — CID 41415902

IUPAC5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)s1
InChIInChI=1S/C16H16N2O2S2/c1-10(19)17-15-7-6-14(22-15)16(20)18-12-8-9-21-13-5-3-2-4-11(12)13/h2-7,12H,8-9H2,1H3,(H,17,19)(H,18,20)/t12-/m1/s1
InChIKeyMGMRBJPWHBZGLH-GFCCVEGCSA-N
MW332.45 g/mol
LogP3.67
Rot. Bonds3

About 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide

5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide (PubChem CID 41415902) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide
PubChem CID41415902
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)s1
InChIInChI=1S/C16H16N2O2S2/c1-10(19)17-15-7-6-14(22-15)16(20)18-12-8-9-21-13-5-3-2-4-11(12)13/h2-7,12H,8-9H2,1H3,(H,17,19)(H,18,20)/t12-/m1/s1
InChIKeyMGMRBJPWHBZGLH-GFCCVEGCSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
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]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976311
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
4-acetyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrrole-2-carboxamide
CID 24616454
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-benzodioxole-5-carboxamide
CID 9118142
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769
N-[1-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 42929757
N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 39546590

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide (CID 41415902) is 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)s1.
What is the InChIKey of 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide?
The InChIKey is MGMRBJPWHBZGLH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-10(19)17-15-7-6-14(22-15)16(20)18-12-8-9-21-13-5-3-2-4-11(12)13/h2-7,12H,8-9H2,1H3,(H,17,19)(H,18,20)/t12-/m1/s1.
What are the key properties of 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide?
5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 41415902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).