methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate

C18H17NO3S — CID 38298822

IUPACmethyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)s1
InChIInChI=1S/C18H17NO3S/c1-22-18(21)16-8-7-15(23-16)17(20)19-11-9-14(10-12-19)13-5-3-2-4-6-13/h2-9H,10-12H2,1H3
InChIKeyRFFOUIDCLAZDNV-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.46
Rot. Bonds3

About methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate

methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate (PubChem CID 38298822) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate
PubChem CID38298822
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Namemethyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)s1
InChIInChI=1S/C18H17NO3S/c1-22-18(21)16-8-7-15(23-16)17(20)19-11-9-14(10-12-19)13-5-3-2-4-6-13/h2-9H,10-12H2,1H3
InChIKeyRFFOUIDCLAZDNV-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-nitrothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 17393436
methyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiophene-2-carboxylate
CID 35184726
methyl 3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)quinoxaline-2-carboxylate
CID 50765071
(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 167849084
(2-methylsulfanylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18106500
[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
tert-butyl 4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 19705303
2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 78912525
[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38168300
(2-phenoxyphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18284551
methyl 5-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]thiophene-2-carboxylate
CID 78850342
3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 122176819

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate (CID 38298822) is methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)s1.
What is the InChIKey of methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate?
The InChIKey is RFFOUIDCLAZDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-22-18(21)16-8-7-15(23-16)17(20)19-11-9-14(10-12-19)13-5-3-2-4-6-13/h2-9H,10-12H2,1H3.
What are the key properties of methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate?
methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate has a molecular weight of 327.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate is sourced from PubChem (CID 38298822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).