N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide

C21H26N4O4S2 — CID 24532413

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N(C)C(C)c2nc3ccccc3s2)C1
InChIInChI=1S/C21H26N4O4S2/c1-13-19(15(3)29-23-13)31(27,28)25-11-7-8-16(12-25)21(26)24(4)14(2)20-22-17-9-5-6-10-18(17)30-20/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3
InChIKeyHUMRXVWLEVPIDQ-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide

N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide (PubChem CID 24532413) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
PubChem CID24532413
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N(C)C(C)c2nc3ccccc3s2)C1
InChIInChI=1S/C21H26N4O4S2/c1-13-19(15(3)29-23-13)31(27,28)25-11-7-8-16(12-25)21(26)24(4)14(2)20-22-17-9-5-6-10-18(17)30-20/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3
InChIKeyHUMRXVWLEVPIDQ-UHFFFAOYSA-N
XLogP3.52
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 55560315
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 51265846
N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 55985081
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide
CID 55451606
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-2-phenylethyl)piperidine-3-carboxamide
CID 55456972
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
CID 78851154
N-[[4-(dimethylamino)phenyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-3-carboxamide
CID 55455255
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55452204
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55473731

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide (CID 24532413) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N(C)C(C)c2nc3ccccc3s2)C1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is HUMRXVWLEVPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c1-13-19(15(3)29-23-13)31(27,28)25-11-7-8-16(12-25)21(26)24(4)14(2)20-22-17-9-5-6-10-18(17)30-20/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 24532413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).