N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide

C31H32N2O2S — CID 4566497

IUPACN-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide
SMILESCc1ccccc1C1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C31H32N2O2S/c1-21(2)19-32(31(35)25-13-12-23-9-5-6-10-24(23)18-25)20-29(34)33-16-14-28-27(15-17-36-28)30(33)26-11-7-4-8-22(26)3/h4-13,15,17-18,21,30H,14,16,19-20H2,1-3H3
InChIKeyLFFOMUNFLIGYNU-UHFFFAOYSA-N
MW496.68 g/mol
LogP6.48
Rot. Bonds6

About N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide

N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide (PubChem CID 4566497) has the molecular formula C31H32N2O2S and a molecular weight of 496.68 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide
PubChem CID4566497
Molecular FormulaC31H32N2O2S
Molecular Weight496.68 g/mol
Exact Mass496.22
IUPAC NameN-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide
SMILESCc1ccccc1C1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C31H32N2O2S/c1-21(2)19-32(31(35)25-13-12-23-9-5-6-10-24(23)18-25)20-29(34)33-16-14-28-27(15-17-36-28)30(33)26-11-7-4-8-22(26)3/h4-13,15,17-18,21,30H,14,16,19-20H2,1-3H3
InChIKeyLFFOMUNFLIGYNU-UHFFFAOYSA-N
XLogP6.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.68
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 7364041
N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)-2,2-diphenylacetamide
CID 3616882
N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 4291761
N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 5159741
4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide
CID 4313062
N-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4305921
4-butyl-N-ethyl-N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93036854
N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 4667626
N-(2-methylpropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 5205354
N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 42779476
4-methoxy-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3944153
N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide
CID 92515781

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide (CID 4566497) is N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide is Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide?
The InChIKey is LFFOMUNFLIGYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O2S/c1-21(2)19-32(31(35)25-13-12-23-9-5-6-10-24(23)18-25)20-29(34)33-16-14-28-27(15-17-36-28)30(33)26-11-7-4-8-22(26)3/h4-13,15,17-18,21,30H,14,16,19-20H2,1-3H3.
What are the key properties of N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide?
N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide has a molecular weight of 496.68 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 4566497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).