N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

C30H36N4O3S — CID 3558568

IUPACN-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(=O)Nc1nc(CC(=O)N2CCC(Cc3ccccc3)CC2)cs1)C(=O)c1ccccc1
InChIInChI=1S/C30H36N4O3S/c1-22(2)19-34(29(37)25-11-7-4-8-12-25)20-27(35)32-30-31-26(21-38-30)18-28(36)33-15-13-24(14-16-33)17-23-9-5-3-6-10-23/h3-12,21-22,24H,13-20H2,1-2H3,(H,31,32,35)
InChIKeyWAFOYAHDPBYMQB-UHFFFAOYSA-N
MW532.71 g/mol
LogP4.90
Rot. Bonds10

About N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (PubChem CID 3558568) has the molecular formula C30H36N4O3S and a molecular weight of 532.71 g/mol. Its IUPAC name is N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
PubChem CID3558568
Molecular FormulaC30H36N4O3S
Molecular Weight532.71 g/mol
Exact Mass532.25
IUPAC NameN-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(=O)Nc1nc(CC(=O)N2CCC(Cc3ccccc3)CC2)cs1)C(=O)c1ccccc1
InChIInChI=1S/C30H36N4O3S/c1-22(2)19-34(29(37)25-11-7-4-8-12-25)20-27(35)32-30-31-26(21-38-30)18-28(36)33-15-13-24(14-16-33)17-23-9-5-3-6-10-23/h3-12,21-22,24H,13-20H2,1-2H3,(H,31,32,35)
InChIKeyWAFOYAHDPBYMQB-UHFFFAOYSA-N
XLogP4.90
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.71
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-[2-[[2-[(4-methylbenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 3590576
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CID 1029737
2-chloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 42780091
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CID 41228041
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CID 1029493
N-[2-[[4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 4149926
4-methyl-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4653317
N-[2-[[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
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N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42778989
N-[2-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 4279571
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CID 4690946
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CID 1030341

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (CID 3558568) is N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is CC(C)CN(CC(=O)Nc1nc(CC(=O)N2CCC(Cc3ccccc3)CC2)cs1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The InChIKey is WAFOYAHDPBYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3S/c1-22(2)19-34(29(37)25-11-7-4-8-12-25)20-27(35)32-30-31-26(21-38-30)18-28(36)33-15-13-24(14-16-33)17-23-9-5-3-6-10-23/h3-12,21-22,24H,13-20H2,1-2H3,(H,31,32,35).
What are the key properties of N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 532.71 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 3558568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).