2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C19H21N3O3S3 — CID 24603190

IUPAC2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)c1
InChIInChI=1S/C19H21N3O3S3/c1-13-4-3-5-14(10-13)21-18(23)11-19-22-16(12-26-19)17-7-6-15(27-17)8-9-20-28(2,24)25/h3-7,10,12,20H,8-9,11H2,1-2H3,(H,21,23)
InChIKeyUJUACXZSFUJEPB-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.45
Rot. Bonds8

About 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 24603190) has the molecular formula C19H21N3O3S3 and a molecular weight of 435.60 g/mol. Its IUPAC name is 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID24603190
Molecular FormulaC19H21N3O3S3
Molecular Weight435.60 g/mol
Exact Mass435.07
IUPAC Name2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)c1
InChIInChI=1S/C19H21N3O3S3/c1-13-4-3-5-14(10-13)21-18(23)11-19-22-16(12-26-19)17-7-6-15(27-17)8-9-20-28(2,24)25/h3-7,10,12,20H,8-9,11H2,1-2H3,(H,21,23)
InChIKeyUJUACXZSFUJEPB-UHFFFAOYSA-N
XLogP3.45
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 82154910
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 8964545
N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 32951588
N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 8750257
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 24603193
N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 31264408
2-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 8964637
2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
CID 43546022
N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603170
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-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603177

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 24603190) is 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)c1.
What is the InChIKey of 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is UJUACXZSFUJEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S3/c1-13-4-3-5-14(10-13)21-18(23)11-19-22-16(12-26-19)17-7-6-15(27-17)8-9-20-28(2,24)25/h3-7,10,12,20H,8-9,11H2,1-2H3,(H,21,23).
What are the key properties of 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 435.60 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 24603190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).