N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide

C14H18N2O3S2 — CID 7202325

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2sc(C)nc2C)cc1
InChIInChI=1S/C14H18N2O3S2/c1-10-14(20-11(2)16-10)8-9-15-21(17,18)13-6-4-12(19-3)5-7-13/h4-7,15H,8-9H2,1-3H3
InChIKeyKCFFPSPRMBPRIW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 7202325) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID7202325
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2sc(C)nc2C)cc1
InChIInChI=1S/C14H18N2O3S2/c1-10-14(20-11(2)16-10)8-9-15-21(17,18)13-6-4-12(19-3)5-7-13/h4-7,15H,8-9H2,1-3H3
InChIKeyKCFFPSPRMBPRIW-UHFFFAOYSA-N
XLogP2.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide (CID 7202325) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2sc(C)nc2C)cc1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is KCFFPSPRMBPRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-14(20-11(2)16-10)8-9-15-21(17,18)13-6-4-12(19-3)5-7-13/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 7202325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).