N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide

C19H22N2O4S3 — CID 31264408

IUPACN-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(Cc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1OC
InChIInChI=1S/C19H22N2O4S3/c1-24-16-6-4-13(10-17(16)25-2)11-19-21-15(12-26-19)18-7-5-14(27-18)8-9-20-28(3,22)23/h4-7,10,12,20H,8-9,11H2,1-3H3
InChIKeyLQGZGTSUIJRCIB-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.57
Rot. Bonds9

About N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 31264408) has the molecular formula C19H22N2O4S3 and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID31264408
Molecular FormulaC19H22N2O4S3
Molecular Weight438.60 g/mol
Exact Mass438.07
IUPAC NameN-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(Cc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1OC
InChIInChI=1S/C19H22N2O4S3/c1-24-16-6-4-13(10-17(16)25-2)11-19-21-15(12-26-19)18-7-5-14(27-18)8-9-20-28(3,22)23/h4-7,10,12,20H,8-9,11H2,1-3H3
InChIKeyLQGZGTSUIJRCIB-UHFFFAOYSA-N
XLogP3.57
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603170
N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603177
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860
N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide
CID 31264374
N-[2-[5-[2-(furan-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 25487674
N-[2-[5-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 60528651
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide
CID 108780108
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894
2-(2-methoxy-4-methylphenoxy)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 33216194
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974200
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328873
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 54773857

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide (CID 31264408) is N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide is COc1ccc(Cc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1OC.
What is the InChIKey of N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is LQGZGTSUIJRCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S3/c1-24-16-6-4-13(10-17(16)25-2)11-19-21-15(12-26-19)18-7-5-14(27-18)8-9-20-28(3,22)23/h4-7,10,12,20H,8-9,11H2,1-3H3.
What are the key properties of N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 438.60 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 31264408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).