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

C22H25N3O4S2 — CID 55665872

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)cs1
InChIInChI=1S/C22H25N3O4S2/c1-4-29-20-11-6-5-10-19(20)22-24-18(14-30-22)13-21(26)23-15(2)16-8-7-9-17(12-16)25-31(3,27)28/h5-12,14-15,25H,4,13H2,1-3H3,(H,23,26)
InChIKeyFUAORQPRFDYASU-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.00
Rot. Bonds9

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

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide (PubChem CID 55665872) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
PubChem CID55665872
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)cs1
InChIInChI=1S/C22H25N3O4S2/c1-4-29-20-11-6-5-10-19(20)22-24-18(14-30-22)13-21(26)23-15(2)16-8-7-9-17(12-16)25-31(3,27)28/h5-12,14-15,25H,4,13H2,1-3H3,(H,23,26)
InChIKeyFUAORQPRFDYASU-UHFFFAOYSA-N
XLogP4.00
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46418276
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 16599382
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55486396
2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16595013
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55508852
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16593803
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide (CID 55665872) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide?
The InChIKey is FUAORQPRFDYASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-4-29-20-11-6-5-10-19(20)22-24-18(14-30-22)13-21(26)23-15(2)16-8-7-9-17(12-16)25-31(3,27)28/h5-12,14-15,25H,4,13H2,1-3H3,(H,23,26).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide is sourced from PubChem (CID 55665872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).