N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

C23H26ClN5O2S — CID 24817984

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)N(C)CC(=O)Nc4ccccc4Cl)CC3)c2c1C
InChIInChI=1S/C23H26ClN5O2S/c1-14-15(2)32-22-20(14)21(25-13-26-22)29-10-8-16(9-11-29)23(31)28(3)12-19(30)27-18-7-5-4-6-17(18)24/h4-7,13,16H,8-12H2,1-3H3,(H,27,30)
InChIKeyUWRCOEGPNBEMJY-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.28
Rot. Bonds5

About N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 24817984) has the molecular formula C23H26ClN5O2S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID24817984
Molecular FormulaC23H26ClN5O2S
Molecular Weight472.01 g/mol
Exact Mass471.15
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)N(C)CC(=O)Nc4ccccc4Cl)CC3)c2c1C
InChIInChI=1S/C23H26ClN5O2S/c1-14-15(2)32-22-20(14)21(25-13-26-22)29-10-8-16(9-11-29)23(31)28(3)12-19(30)27-18-7-5-4-6-17(18)24/h4-7,13,16H,8-12H2,1-3H3,(H,27,30)
InChIKeyUWRCOEGPNBEMJY-UHFFFAOYSA-N
XLogP4.28
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 24817984) is N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)N(C)CC(=O)Nc4ccccc4Cl)CC3)c2c1C.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is UWRCOEGPNBEMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2S/c1-14-15(2)32-22-20(14)21(25-13-26-22)29-10-8-16(9-11-29)23(31)28(3)12-19(30)27-18-7-5-4-6-17(18)24/h4-7,13,16H,8-12H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 472.01 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24817984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).