N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide

C19H21N3O2S2 — CID 171386322

IUPACN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide
SMILESCC(C)c1nc(CCNS(=O)(=O)c2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C19H21N3O2S2/c1-14(2)19-22-17(13-25-19)8-11-21-26(23,24)18-5-3-4-16(12-18)15-6-9-20-10-7-15/h3-7,9-10,12-14,21H,8,11H2,1-2H3
InChIKeyRHEVNFDFZXTKLT-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.85
Rot. Bonds7

About N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide (PubChem CID 171386322) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide
PubChem CID171386322
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide
SMILESCC(C)c1nc(CCNS(=O)(=O)c2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C19H21N3O2S2/c1-14(2)19-22-17(13-25-19)8-11-21-26(23,24)18-5-3-4-16(12-18)15-6-9-20-10-7-15/h3-7,9-10,12-14,21H,8,11H2,1-2H3
InChIKeyRHEVNFDFZXTKLT-UHFFFAOYSA-N
XLogP3.85
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid
CID 110625038
3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558319
3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide
CID 171916138
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 38997085
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728120
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
CID 145138139
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106049680
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide
CID 90571042
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide
CID 169411645

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide (CID 171386322) is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide is CC(C)c1nc(CCNS(=O)(=O)c2cccc(-c3ccncc3)c2)cs1.
What is the InChIKey of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide?
The InChIKey is RHEVNFDFZXTKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-14(2)19-22-17(13-25-19)8-11-21-26(23,24)18-5-3-4-16(12-18)15-6-9-20-10-7-15/h3-7,9-10,12-14,21H,8,11H2,1-2H3.
What are the key properties of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide?
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide has a molecular weight of 387.53 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 171386322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).