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

C17H24N2O4S2 — CID 54773857

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(C(C)(C)C)cs2)cc1OC
InChIInChI=1S/C17H24N2O4S2/c1-17(2,3)15-11-24-16(19-15)8-9-18-25(20,21)12-6-7-13(22-4)14(10-12)23-5/h6-7,10-11,18H,8-9H2,1-5H3
InChIKeyLDLXCLQAOLEIIH-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 54773857) has the molecular formula C17H24N2O4S2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID54773857
Molecular FormulaC17H24N2O4S2
Molecular Weight384.52 g/mol
Exact Mass384.12
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2nc(C(C)(C)C)cs2)cc1OC
InChIInChI=1S/C17H24N2O4S2/c1-17(2,3)15-11-24-16(19-15)8-9-18-25(20,21)12-6-7-13(22-4)14(10-12)23-5/h6-7,10-11,18H,8-9H2,1-5H3
InChIKeyLDLXCLQAOLEIIH-UHFFFAOYSA-N
XLogP2.98
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773890
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 111836197
3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320319
3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398411
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 154764560
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
3-amino-4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61125479
4-tert-butyl-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398436
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110294381
N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide
CID 3376302
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)ethanesulfonamide
CID 126819342

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (CID 54773857) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2nc(C(C)(C)C)cs2)cc1OC.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is LDLXCLQAOLEIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S2/c1-17(2,3)15-11-24-16(19-15)8-9-18-25(20,21)12-6-7-13(22-4)14(10-12)23-5/h6-7,10-11,18H,8-9H2,1-5H3.
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 384.52 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 54773857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).