3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

C20H21N3O4S2 — CID 110130525

IUPAC3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(S(=O)(=O)c2ccccc2)CCO1
InChIInChI=1S/C20H21N3O4S2/c1-22(2)20(24)18-17(15-9-6-10-21-19(15)28-18)16-13-23(11-12-27-16)29(25,26)14-7-4-3-5-8-14/h3-10,16H,11-13H2,1-2H3
InChIKeyIQYZTHKSZCMLRY-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.76
Rot. Bonds4

About 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110130525) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID110130525
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CN(S(=O)(=O)c2ccccc2)CCO1
InChIInChI=1S/C20H21N3O4S2/c1-22(2)20(24)18-17(15-9-6-10-21-19(15)28-18)16-13-23(11-12-27-16)29(25,26)14-7-4-3-5-8-14/h3-10,16H,11-13H2,1-2H3
InChIKeyIQYZTHKSZCMLRY-UHFFFAOYSA-N
XLogP2.76
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248376
N,N-dimethyl-3-(4-morpholin-4-ylsulfonylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 110130529
3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130484
N,N-dimethyl-3-[(2S)-morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95804236
3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 125003964
3-[4-(1,5-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 110130536
N,N-dimethyl-3-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110130514
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
3-[(2R)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 164708175
N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124944215
N,N-dimethyl-3-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110090980
methyl 4-[(2R)-2-(2-carbamoyl-1-benzothiophen-3-yl)morpholin-4-yl]sulfonylbenzoate
CID 164708224

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 110130525) is 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2ncccc2c1C1CN(S(=O)(=O)c2ccccc2)CCO1.
What is the InChIKey of 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IQYZTHKSZCMLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-22(2)20(24)18-17(15-9-6-10-21-19(15)28-18)16-13-23(11-12-27-16)29(25,26)14-7-4-3-5-8-14/h3-10,16H,11-13H2,1-2H3.
What are the key properties of 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110130525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).