N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C18H17NO2S — CID 18136898

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCOc2ccccc21)C1Cc2ccccc2S1
InChIInChI=1S/C18H17NO2S/c20-18(17-11-12-5-1-4-8-16(12)22-17)19-14-9-10-21-15-7-3-2-6-13(14)15/h1-8,14,17H,9-11H2,(H,19,20)
InChIKeyPBDKSAWNGPFAAK-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.34
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 18136898) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID18136898
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCOc2ccccc21)C1Cc2ccccc2S1
InChIInChI=1S/C18H17NO2S/c20-18(17-11-12-5-1-4-8-16(12)22-17)19-14-9-10-21-15-7-3-2-6-13(14)15/h1-8,14,17H,9-11H2,(H,19,20)
InChIKeyPBDKSAWNGPFAAK-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
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(2S)-N-(4-methylcyclohexyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51616605
N-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
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2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
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(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
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(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119685148
N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119426947
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 18136898) is N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NC1CCOc2ccccc21)C1Cc2ccccc2S1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is PBDKSAWNGPFAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-18(17-11-12-5-1-4-8-16(12)22-17)19-14-9-10-21-15-7-3-2-6-13(14)15/h1-8,14,17H,9-11H2,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.34, 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-chromen-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18136898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).