N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C18H24N4O4S2 — CID 127248376

IUPACN,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(S(=O)(=O)N2CCCC2)CCO1
InChIInChI=1S/C18H24N4O4S2/c1-20(2)18(23)16-15(13-6-5-7-19-17(13)27-16)14-12-22(10-11-26-14)28(24,25)21-8-3-4-9-21/h5-7,14H,3-4,8-12H2,1-2H3
InChIKeyNOHDJZBMFYPZHE-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.71
Rot. Bonds4

About N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide

N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 127248376) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID127248376
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC NameN,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(S(=O)(=O)N2CCCC2)CCO1
InChIInChI=1S/C18H24N4O4S2/c1-20(2)18(23)16-15(13-6-5-7-19-17(13)27-16)14-12-22(10-11-26-14)28(24,25)21-8-3-4-9-21/h5-7,14H,3-4,8-12H2,1-2H3
InChIKeyNOHDJZBMFYPZHE-UHFFFAOYSA-N
XLogP1.71
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-(4-morpholin-4-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 110130529
3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130525
N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110130514
N,N-dimethyl-3-[(2S)-morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95804236
3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 127248417
N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248387
3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 125003964
3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxamide
CID 110089169
3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 110130536
3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130484
N,N-dimethyl-3-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110090980
3-[1-[2-(benzotriazol-1-yl)acetyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130504

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 127248376) is N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2ncccc2c1C1CN(S(=O)(=O)N2CCCC2)CCO1.
What is the InChIKey of N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NOHDJZBMFYPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-20(2)18(23)16-15(13-6-5-7-19-17(13)27-16)14-12-22(10-11-26-14)28(24,25)21-8-3-4-9-21/h5-7,14H,3-4,8-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127248376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).