methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate

C19H23N3O6S2 — CID 16944929

IUPACmethyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2sc(NS(=O)(=O)c3ccc(OC)cc3)nc2C)CC1
InChIInChI=1S/C19H23N3O6S2/c1-12-16(17(23)22-10-8-13(9-11-22)18(24)28-3)29-19(20-12)21-30(25,26)15-6-4-14(27-2)5-7-15/h4-7,13H,8-11H2,1-3H3,(H,20,21)
InChIKeyKGHYRGAUXLSAPE-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.29
Rot. Bonds6

About methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate

methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate (PubChem CID 16944929) has the molecular formula C19H23N3O6S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
PubChem CID16944929
Molecular FormulaC19H23N3O6S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC Namemethyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2sc(NS(=O)(=O)c3ccc(OC)cc3)nc2C)CC1
InChIInChI=1S/C19H23N3O6S2/c1-12-16(17(23)22-10-8-13(9-11-22)18(24)28-3)29-19(20-12)21-30(25,26)15-6-4-14(27-2)5-7-15/h4-7,13H,8-11H2,1-3H3,(H,20,21)
InChIKeyKGHYRGAUXLSAPE-UHFFFAOYSA-N
XLogP2.29
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 16944348
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944785
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944488
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 16944349
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 25405477
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944904
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
N-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945066
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate (CID 16944929) is methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2sc(NS(=O)(=O)c3ccc(OC)cc3)nc2C)CC1.
What is the InChIKey of methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
The InChIKey is KGHYRGAUXLSAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S2/c1-12-16(17(23)22-10-8-13(9-11-22)18(24)28-3)29-19(20-12)21-30(25,26)15-6-4-14(27-2)5-7-15/h4-7,13H,8-11H2,1-3H3,(H,20,21).
What are the key properties of methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 16944929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).