2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide

C23H22ClN3O3S — CID 108754671

IUPAC2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1
InChIInChI=1S/C23H22ClN3O3S/c1-13(30-16-8-6-15(24)7-9-16)20(28)26-22-25-18(12-31-22)14-5-10-19-17(11-14)23(2,3)21(29)27(19)4/h5-13H,1-4H3,(H,25,26,28)
InChIKeyAHYCXMFYMQYOEI-UHFFFAOYSA-N
MW455.97 g/mol
LogP5.12
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide

2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 108754671) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID108754671
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1
InChIInChI=1S/C23H22ClN3O3S/c1-13(30-16-8-6-15(24)7-9-16)20(28)26-22-25-18(12-31-22)14-5-10-19-17(11-14)23(2,3)21(29)27(19)4/h5-13H,1-4H3,(H,25,26,28)
InChIKeyAHYCXMFYMQYOEI-UHFFFAOYSA-N
XLogP5.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.97
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 108754604
3-chloro-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 108754688
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035
2-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 108731032
(E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide
CID 108754588
2-(2-methoxyethoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 108731053
3-bromo-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 108731130
(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7924820
N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 108754689
4-nitro-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 108754607
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692
N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide
CID 108781169

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide (CID 108754671) is 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is AHYCXMFYMQYOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c1-13(30-16-8-6-15(24)7-9-16)20(28)26-22-25-18(12-31-22)14-5-10-19-17(11-14)23(2,3)21(29)27(19)4/h5-13H,1-4H3,(H,25,26,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide?
2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 455.97 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 108754671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).