N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide

C18H21N3O5S2 — CID 46953657

IUPACN-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CS(=O)(=O)CC1O)c1cc(-c2cccnc2)c(N2CCOCC2)s1
InChIInChI=1S/C18H21N3O5S2/c22-15-11-28(24,25)10-14(15)20-17(23)16-8-13(12-2-1-3-19-9-12)18(27-16)21-4-6-26-7-5-21/h1-3,8-9,14-15,22H,4-7,10-11H2,(H,20,23)
InChIKeyXJXDEYRYVGBLQR-UHFFFAOYSA-N
MW423.52 g/mol
LogP0.53
Rot. Bonds4

About N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide

N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 46953657) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide
PubChem CID46953657
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC NameN-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CS(=O)(=O)CC1O)c1cc(-c2cccnc2)c(N2CCOCC2)s1
InChIInChI=1S/C18H21N3O5S2/c22-15-11-28(24,25)10-14(15)20-17(23)16-8-13(12-2-1-3-19-9-12)18(27-16)21-4-6-26-7-5-21/h1-3,8-9,14-15,22H,4-7,10-11H2,(H,20,23)
InChIKeyXJXDEYRYVGBLQR-UHFFFAOYSA-N
XLogP0.53
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide with MolForge

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Related Compounds

(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone
CID 11842439
N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide
CID 110237363
methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate
CID 110237373
[(3S)-3-methylpiperidin-1-yl]-(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)methanone
CID 95856405
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110083127
N-methyl-5-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-3-ylthiophene-2-carboxamide
CID 110237381
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
CID 9291462
[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
CID 69026448

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide (CID 46953657) is N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide is O=C(NC1CS(=O)(=O)CC1O)c1cc(-c2cccnc2)c(N2CCOCC2)s1.
What is the InChIKey of N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is XJXDEYRYVGBLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c22-15-11-28(24,25)10-14(15)20-17(23)16-8-13(12-2-1-3-19-9-12)18(27-16)21-4-6-26-7-5-21/h1-3,8-9,14-15,22H,4-7,10-11H2,(H,20,23).
What are the key properties of N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide?
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 46953657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).