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

C15H15NO2S — CID 31284395

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C15H15NO2S/c1-10-7-9-19-14(10)15(17)16-12-6-8-18-13-5-3-2-4-11(12)13/h2-5,7,9,12H,6,8H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyXEQMVLDXTPCMSO-LBPRGKRZSA-N
MW273.36 g/mol
LogP3.31
Rot. Bonds2

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

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 31284395) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID31284395
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C15H15NO2S/c1-10-7-9-19-14(10)15(17)16-12-6-8-18-13-5-3-2-4-11(12)13/h2-5,7,9,12H,6,8H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyXEQMVLDXTPCMSO-LBPRGKRZSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9193206
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126
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-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
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
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide (CID 31284395) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)N[C@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is XEQMVLDXTPCMSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-7-9-19-14(10)15(17)16-12-6-8-18-13-5-3-2-4-11(12)13/h2-5,7,9,12H,6,8H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 3.31, 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-chromen-4-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 31284395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).