N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

C21H19NO2S — CID 9193206

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N[C@H]2CCOc3ccccc32)cc1
InChIInChI=1S/C21H19NO2S/c1-14-6-8-15(9-7-14)16-11-13-25-20(16)21(23)22-18-10-12-24-19-5-3-2-4-17(18)19/h2-9,11,13,18H,10,12H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyXWJZMXZVKSHJBQ-SFHVURJKSA-N
MW349.46 g/mol
LogP4.98
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 9193206) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID9193206
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N[C@H]2CCOc3ccccc32)cc1
InChIInChI=1S/C21H19NO2S/c1-14-6-8-15(9-7-14)16-11-13-25-20(16)21(23)22-18-10-12-24-19-5-3-2-4-17(18)19/h2-9,11,13,18H,10,12H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyXWJZMXZVKSHJBQ-SFHVURJKSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.98
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-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 86937525
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 9193152
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8819787
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55388170
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 98623177
2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9193279
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4,5-dimethyl-3-propan-2-ylfuran-2-carboxamide
CID 155135559
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927968
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 9193206) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCOc3ccccc32)cc1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is XWJZMXZVKSHJBQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-14-6-8-15(9-7-14)16-11-13-25-20(16)21(23)22-18-10-12-24-19-5-3-2-4-17(18)19/h2-9,11,13,18H,10,12H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 4.98, 3 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-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9193206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).