N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide

C23H21ClN4O4S — CID 167864862

IUPACN-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide
SMILESCOc1ccc(NC(=O)C(C)NCc2nc(CN3C(=O)c4ccccc4C3=O)cs2)cc1Cl
InChIInChI=1S/C23H21ClN4O4S/c1-13(21(29)27-14-7-8-19(32-2)18(24)9-14)25-10-20-26-15(12-33-20)11-28-22(30)16-5-3-4-6-17(16)23(28)31/h3-9,12-13,25H,10-11H2,1-2H3,(H,27,29)
InChIKeyQFWZJVCKDQUADM-UHFFFAOYSA-N
MW484.97 g/mol
LogP3.72
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide

N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide (PubChem CID 167864862) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide
PubChem CID167864862
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide
SMILESCOc1ccc(NC(=O)C(C)NCc2nc(CN3C(=O)c4ccccc4C3=O)cs2)cc1Cl
InChIInChI=1S/C23H21ClN4O4S/c1-13(21(29)27-14-7-8-19(32-2)18(24)9-14)25-10-20-26-15(12-33-20)11-28-22(30)16-5-3-4-6-17(16)23(28)31/h3-9,12-13,25H,10-11H2,1-2H3,(H,27,29)
InChIKeyQFWZJVCKDQUADM-UHFFFAOYSA-N
XLogP3.72
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-N-(3-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
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2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158154
N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389576
N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113201377
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201726
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
1-(3-chloro-4-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide (CID 167864862) is N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide is COc1ccc(NC(=O)C(C)NCc2nc(CN3C(=O)c4ccccc4C3=O)cs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide?
The InChIKey is QFWZJVCKDQUADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-13(21(29)27-14-7-8-19(32-2)18(24)9-14)25-10-20-26-15(12-33-20)11-28-22(30)16-5-3-4-6-17(16)23(28)31/h3-9,12-13,25H,10-11H2,1-2H3,(H,27,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide?
N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide has a molecular weight of 484.97 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]methylamino]propanamide is sourced from PubChem (CID 167864862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).