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

C18H21N3O4S2 — CID 110237363

IUPACN-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(-c2ccncc2)c(N2CCOCC2)s1
InChIInChI=1S/C18H21N3O4S2/c22-17(20-14-3-10-27(23,24)12-14)16-11-15(13-1-4-19-5-2-13)18(26-16)21-6-8-25-9-7-21/h1-2,4-5,11,14H,3,6-10,12H2,(H,20,22)
InChIKeyCWMBKOZBPRPFFQ-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.56
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 110237363) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide
PubChem CID110237363
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(-c2ccncc2)c(N2CCOCC2)s1
InChIInChI=1S/C18H21N3O4S2/c22-17(20-14-3-10-27(23,24)12-14)16-11-15(13-1-4-19-5-2-13)18(26-16)21-6-8-25-9-7-21/h1-2,4-5,11,14H,3,6-10,12H2,(H,20,22)
InChIKeyCWMBKOZBPRPFFQ-UHFFFAOYSA-N
XLogP1.56
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide
CID 46953657
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 41200888
5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24621446
N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide
CID 46953653
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide
CID 46961308
N-(1,1-dioxothiolan-3-yl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103755
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-5-phenylthiophene-2-carboxamide
CID 125418912
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 9126685
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
CID 9291462
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide (CID 110237363) is N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cc(-c2ccncc2)c(N2CCOCC2)s1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is CWMBKOZBPRPFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c22-17(20-14-3-10-27(23,24)12-14)16-11-15(13-1-4-19-5-2-13)18(26-16)21-6-8-25-9-7-21/h1-2,4-5,11,14H,3,6-10,12H2,(H,20,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 110237363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).