N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide

C19H29Cl2N3O2S — CID 11091361

IUPACN-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C(CC(C)C(Cl)Cl)C(=O)N1CCCC1c1nccs1
InChIInChI=1S/C19H29Cl2N3O2S/c1-12(2)10-16(25)23(4)15(11-13(3)17(20)21)19(26)24-8-5-6-14(24)18-22-7-9-27-18/h7,9,12-15,17H,5-6,8,10-11H2,1-4H3
InChIKeyDCNQGUXDRFBFHN-UHFFFAOYSA-N
MW434.43 g/mol
LogP4.51
Rot. Bonds8

About N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide

N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide (PubChem CID 11091361) has the molecular formula C19H29Cl2N3O2S and a molecular weight of 434.43 g/mol. Its IUPAC name is N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide
PubChem CID11091361
Molecular FormulaC19H29Cl2N3O2S
Molecular Weight434.43 g/mol
Exact Mass433.14
IUPAC NameN-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C(CC(C)C(Cl)Cl)C(=O)N1CCCC1c1nccs1
InChIInChI=1S/C19H29Cl2N3O2S/c1-12(2)10-16(25)23(4)15(11-13(3)17(20)21)19(26)24-8-5-6-14(24)18-22-7-9-27-18/h7,9,12-15,17H,5-6,8,10-11H2,1-4H3
InChIKeyDCNQGUXDRFBFHN-UHFFFAOYSA-N
XLogP4.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide?
The IUPAC name of N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide (CID 11091361) is N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)C(CC(C)C(Cl)Cl)C(=O)N1CCCC1c1nccs1.
What is the InChIKey of N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide?
The InChIKey is DCNQGUXDRFBFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl2N3O2S/c1-12(2)10-16(25)23(4)15(11-13(3)17(20)21)19(26)24-8-5-6-14(24)18-22-7-9-27-18/h7,9,12-15,17H,5-6,8,10-11H2,1-4H3.
What are the key properties of N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide?
N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide has a molecular weight of 434.43 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide is sourced from PubChem (CID 11091361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).