N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide

C22H25N3O3S2 — CID 24603193

IUPACN-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(NC(=O)Cc2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-3-16-6-10-19(11-7-16)24-21(26)14-22-25-20(15-29-22)18-8-4-17(5-9-18)12-13-23-30(2,27)28/h4-11,15,23H,3,12-14H2,1-2H3,(H,24,26)
InChIKeyRKFOQDSIHNQIDN-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.65
Rot. Bonds9

About N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide

N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 24603193) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID24603193
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC NameN-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(NC(=O)Cc2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-3-16-6-10-19(11-7-16)24-21(26)14-22-25-20(15-29-22)18-8-4-17(5-9-18)12-13-23-30(2,27)28/h4-11,15,23H,3,12-14H2,1-2H3,(H,24,26)
InChIKeyRKFOQDSIHNQIDN-UHFFFAOYSA-N
XLogP3.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 9343938
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide
CID 108780119
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
CID 110393596
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317833
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 17478229
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536
3-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 60529021

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide (CID 24603193) is N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide is CCc1ccc(NC(=O)Cc2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RKFOQDSIHNQIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-3-16-6-10-19(11-7-16)24-21(26)14-22-25-20(15-29-22)18-8-4-17(5-9-18)12-13-23-30(2,27)28/h4-11,15,23H,3,12-14H2,1-2H3,(H,24,26).
What are the key properties of N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide?
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 443.59 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24603193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).