N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide

C20H24N4O2S2 — CID 166183717

IUPACN-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(-c2csc3ncnc(N4CCCC(NS(C)(=O)=O)C4)c23)cc1C
InChIInChI=1S/C20H24N4O2S2/c1-13-6-7-15(9-14(13)2)17-11-27-20-18(17)19(21-12-22-20)24-8-4-5-16(10-24)23-28(3,25)26/h6-7,9,11-12,16,23H,4-5,8,10H2,1-3H3
InChIKeySBJJXVZHNCYQRY-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.49
Rot. Bonds4

About N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide

N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide (PubChem CID 166183717) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
PubChem CID166183717
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC NameN-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(-c2csc3ncnc(N4CCCC(NS(C)(=O)=O)C4)c23)cc1C
InChIInChI=1S/C20H24N4O2S2/c1-13-6-7-15(9-14(13)2)17-11-27-20-18(17)19(21-12-22-20)24-8-4-5-16(10-24)23-28(3,25)26/h6-7,9,11-12,16,23H,4-5,8,10H2,1-3H3
InChIKeySBJJXVZHNCYQRY-UHFFFAOYSA-N
XLogP3.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226
4-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one
CID 91641624
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine
CID 2241129
(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 2509845
4-(4-methylpiperazin-1-yl)-5-(3,4,5-trimethylphenyl)thieno[2,3-d]pyrimidine
CID 985285
5-(4-methylphenyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95576399
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 41332420
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
N-cyclohexyl-N-methyl-4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-sulfonamide
CID 46600118
(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 9113223
2-[[1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 24885451

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide (CID 166183717) is N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide is Cc1ccc(-c2csc3ncnc(N4CCCC(NS(C)(=O)=O)C4)c23)cc1C.
What is the InChIKey of N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
The InChIKey is SBJJXVZHNCYQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-13-6-7-15(9-14(13)2)17-11-27-20-18(17)19(21-12-22-20)24-8-4-5-16(10-24)23-28(3,25)26/h6-7,9,11-12,16,23H,4-5,8,10H2,1-3H3.
What are the key properties of N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide has a molecular weight of 416.57 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 166183717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).