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

C17H19N3O3S3 — CID 24603170

IUPACN-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(Nc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1
InChIInChI=1S/C17H19N3O3S3/c1-23-13-5-3-12(4-6-13)19-17-20-15(11-24-17)16-8-7-14(25-16)9-10-18-26(2,21)22/h3-8,11,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyCMTHFFKNOIWEOS-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.72
Rot. Bonds8

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

N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 24603170) has the molecular formula C17H19N3O3S3 and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID24603170
Molecular FormulaC17H19N3O3S3
Molecular Weight409.56 g/mol
Exact Mass409.06
IUPAC NameN-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(Nc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1
InChIInChI=1S/C17H19N3O3S3/c1-23-13-5-3-12(4-6-13)19-17-20-15(11-24-17)16-8-7-14(25-16)9-10-18-26(2,21)22/h3-8,11,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyCMTHFFKNOIWEOS-UHFFFAOYSA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603177
N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 31264408
N-[2-[5-[2-(furan-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 25487674
N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
CID 18141554
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
N-[2-[5-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 60528651
2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24603190
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440
4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810414
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide (CID 24603170) is N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide is COc1ccc(Nc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1.
What is the InChIKey of N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is CMTHFFKNOIWEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S3/c1-23-13-5-3-12(4-6-13)19-17-20-15(11-24-17)16-8-7-14(25-16)9-10-18-26(2,21)22/h3-8,11,18H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 409.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 24603170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).