4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C16H22N2O2S2 — CID 110718513

IUPAC4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ncsc1CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2S2/c1-12-15(21-11-17-12)9-10-18-22(19,20)14-7-5-13(6-8-14)16(2,3)4/h5-8,11,18H,9-10H2,1-4H3
InChIKeyBZCHGFZHNHQRKT-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.27
Rot. Bonds5

About 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110718513) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110718513
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC Name4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ncsc1CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2S2/c1-12-15(21-11-17-12)9-10-18-22(19,20)14-7-5-13(6-8-14)16(2,3)4/h5-8,11,18H,9-10H2,1-4H3
InChIKeyBZCHGFZHNHQRKT-UHFFFAOYSA-N
XLogP3.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718479
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
N-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 63280983
1-(4-methylphenyl)sulfonyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 110747836
4-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283497
4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718489
1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718501
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718502
4-[1-(methylamino)ethyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283976
4-tert-butyl-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398436

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 110718513) is 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is Cc1ncsc1CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is BZCHGFZHNHQRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-12-15(21-11-17-12)9-10-18-22(19,20)14-7-5-13(6-8-14)16(2,3)4/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 338.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110718513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).