N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide

C23H30N4O5S — CID 3210657

IUPACN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C23H30N4O5S/c1-15-14-33-23(24-15)26-20(28)10-11-22(30)27(13-21(29)25-16-6-4-5-7-16)17-8-9-18(31-2)19(12-17)32-3/h8-9,12,14,16H,4-7,10-11,13H2,1-3H3,(H,25,29)(H,24,26,28)
InChIKeyYDTQTQGEDOVXSF-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.28
Rot. Bonds10

About N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide

N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide (PubChem CID 3210657) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide
PubChem CID3210657
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C23H30N4O5S/c1-15-14-33-23(24-15)26-20(28)10-11-22(30)27(13-21(29)25-16-6-4-5-7-16)17-8-9-18(31-2)19(12-17)32-3/h8-9,12,14,16H,4-7,10-11,13H2,1-3H3,(H,25,29)(H,24,26,28)
InChIKeyYDTQTQGEDOVXSF-UHFFFAOYSA-N
XLogP3.28
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 71818432
N-Cyclopentylcarbamoylmethyl-N-(4-ethoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205396
N-Benzo[1,3]dioxol-5-yl-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205573
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205574
N''-(3-methoxyphenyl)-N''-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-N-(2-thiazolyl)butanediamide
CID 3205683
N-(3,4-dimethoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567666
N-(3,4-dimethoxyphenyl)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinamine
CID 24818950
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(3,4-dimethoxy-phenylamino)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 44394768
2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-(4-methyl-thiazol-2-yl)-acetamide
CID 863792
N-Benzo[1,3]dioxol-5-yl-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-N'-thiazol-2-yl-succinamide
CID 645788
N-Cyclohexylcarbamoylmethyl-N-(3-methoxy-phenyl)-N'-(4-methyl-thiazol-2-yl)-succinamide
CID 3212293

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide (CID 3210657) is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide is COc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)cc1OC.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide?
The InChIKey is YDTQTQGEDOVXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-15-14-33-23(24-15)26-20(28)10-11-22(30)27(13-21(29)25-16-6-4-5-7-16)17-8-9-18(31-2)19(12-17)32-3/h8-9,12,14,16H,4-7,10-11,13H2,1-3H3,(H,25,29)(H,24,26,28).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide?
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide has a molecular weight of 474.58 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3210657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).