3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

C22H25N3O3S2 — CID 110130484

IUPAC3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1C
InChIInChI=1S/C22H25N3O3S2/c1-14-7-8-17(12-15(14)2)30(27,28)25-11-9-16(13-25)19-18-6-5-10-23-21(18)29-20(19)22(26)24(3)4/h5-8,10,12,16H,9,11,13H2,1-4H3
InChIKeyLNCGVRBTMRQJRN-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.79
Rot. Bonds4

About 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110130484) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID110130484
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1C
InChIInChI=1S/C22H25N3O3S2/c1-14-7-8-17(12-15(14)2)30(27,28)25-11-9-16(13-25)19-18-6-5-10-23-21(18)29-20(19)22(26)24(3)4/h5-8,10,12,16H,9,11,13H2,1-4H3
InChIKeyLNCGVRBTMRQJRN-UHFFFAOYSA-N
XLogP3.79
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-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

3-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 110089134
3-[4-(benzenesulfonyl)morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130525
N,N-dimethyl-3-[(3S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124944215
3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 110251093
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
N,N-dimethyl-3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124942891
3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 132777127
N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110130492
N,N-dimethyl-3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248331
2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638686
2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904282

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 110130484) is 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1C.
What is the InChIKey of 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LNCGVRBTMRQJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-14-7-8-17(12-15(14)2)30(27,28)25-11-9-16(13-25)19-18-6-5-10-23-21(18)29-20(19)22(26)24(3)4/h5-8,10,12,16H,9,11,13H2,1-4H3.
What are the key properties of 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110130484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).