N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide

C16H22N2O4S2 — CID 7119084

IUPACN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H22N2O4S2/c1-4-9-24(19,20)17-8-7-13-11-23-16(18-13)12-5-6-14(21-2)15(10-12)22-3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyCFYKSRSKEFPBNJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.70
Rot. Bonds9

About N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide

N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide (PubChem CID 7119084) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
PubChem CID7119084
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H22N2O4S2/c1-4-9-24(19,20)17-8-7-13-11-23-16(18-13)12-5-6-14(21-2)15(10-12)22-3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyCFYKSRSKEFPBNJ-UHFFFAOYSA-N
XLogP2.70
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole hydrochloride
CID 16196271
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylthiazole
CID 2742348
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide
CID 7119083
2-(3,4-dimethoxyphenyl)-5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 8073304
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537289
2-Methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol
CID 838952
4-(3,4-Dimethoxyphenyl)-2-thiophen-2-ylthiazole
CID 2507089
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 3236821
3,4-Dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-YL)ethyl]benzene-1-sulfonamide
CID 7202338
N-{2-[2-(4-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}-4-methoxybenzene-1-sulfonamide
CID 7522037
3-Fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-YL]ethyl}-4-methoxybenzene-1-sulfonamide
CID 7522047
3,4-dimethoxy-N-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]benzenesulfonamide
CID 9550483

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide (CID 7119084) is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1csc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide?
The InChIKey is CFYKSRSKEFPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S2/c1-4-9-24(19,20)17-8-7-13-11-23-16(18-13)12-5-6-14(21-2)15(10-12)22-3/h5-6,10-11,17H,4,7-9H2,1-3H3.
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide?
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide has a molecular weight of 370.50 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 7119084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).