N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide

C22H24N4O3S — CID 56567860

IUPACN-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1cccc(OCc2cscn2)c1
InChIInChI=1S/C22H24N4O3S/c1-15-6-4-7-16(2)21(15)25-20(27)11-26(3)22(28)24-17-8-5-9-19(10-17)29-12-18-13-30-14-23-18/h4-10,13-14H,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGMFQJTGGJWTSAN-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.44
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide (PubChem CID 56567860) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide
PubChem CID56567860
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1cccc(OCc2cscn2)c1
InChIInChI=1S/C22H24N4O3S/c1-15-6-4-7-16(2)21(15)25-20(27)11-26(3)22(28)24-17-8-5-9-19(10-17)29-12-18-13-30-14-23-18/h4-10,13-14H,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGMFQJTGGJWTSAN-UHFFFAOYSA-N
XLogP4.44
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 166193918
N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679477
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide
CID 99831736
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 55695909
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(pyridin-2-ylsulfanylmethyl)phenyl]carbamoyl]amino]acetamide
CID 56554759
N-(2,6-dimethylphenyl)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl-methylamino]acetamide
CID 86993944
N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757
2-[methyl(pyridin-3-ylcarbamoyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51264566

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide (CID 56567860) is N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1cccc(OCc2cscn2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide?
The InChIKey is GMFQJTGGJWTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15-6-4-7-16(2)21(15)25-20(27)11-26(3)22(28)24-17-8-5-9-19(10-17)29-12-18-13-30-14-23-18/h4-10,13-14H,11-12H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide has a molecular weight of 424.53 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 56567860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).