N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide

C22H23ClN4O3S — CID 24560992

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C22H23ClN4O3S/c1-14-4-6-15(7-5-14)18-13-31-22(25-18)26-21(29)12-27(2)11-20(28)24-17-10-16(23)8-9-19(17)30-3/h4-10,13H,11-12H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeySOPKLTGXPWFLKG-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.29
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 24560992) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide
PubChem CID24560992
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C22H23ClN4O3S/c1-14-4-6-15(7-5-14)18-13-31-22(25-18)26-21(29)12-27(2)11-20(28)24-17-10-16(23)8-9-19(17)30-3/h4-10,13H,11-12H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeySOPKLTGXPWFLKG-UHFFFAOYSA-N
XLogP4.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 20896160
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 100799314
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16565451
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214678
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
methyl 3-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 24566418
N-(5-chloro-2-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779237
2-[[5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 17262756
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide (CID 24560992) is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide?
The InChIKey is SOPKLTGXPWFLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-14-4-6-15(7-5-14)18-13-31-22(25-18)26-21(29)12-27(2)11-20(28)24-17-10-16(23)8-9-19(17)30-3/h4-10,13H,11-12H2,1-3H3,(H,24,28)(H,25,26,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 24560992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).