ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate

C25H37N5O5S — CID 24789618

IUPACethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C25H37N5O5S/c1-7-35-25(32)29-14-12-21(13-15-29)26-23(31)16-30(22-10-8-20(9-11-22)17(2)3)36(33,34)24-18(4)27-28(6)19(24)5/h8-11,17,21H,7,12-16H2,1-6H3,(H,26,31)
InChIKeyREEWSHWVMQGCHD-UHFFFAOYSA-N
MW519.67 g/mol
LogP3.09
Rot. Bonds8

About ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate (PubChem CID 24789618) has the molecular formula C25H37N5O5S and a molecular weight of 519.67 g/mol. Its IUPAC name is ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate
PubChem CID24789618
Molecular FormulaC25H37N5O5S
Molecular Weight519.67 g/mol
Exact Mass519.25
IUPAC Nameethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C25H37N5O5S/c1-7-35-25(32)29-14-12-21(13-15-29)26-23(31)16-30(22-10-8-20(9-11-22)17(2)3)36(33,34)24-18(4)27-28(6)19(24)5/h8-11,17,21H,7,12-16H2,1-6H3,(H,26,31)
InChIKeyREEWSHWVMQGCHD-UHFFFAOYSA-N
XLogP3.09
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.67
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307103
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 5309115
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9550907
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9551544
1,3,5-Trimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-N-[4-(propan-2-YL)phenyl]-1H-pyrazole-4-sulfonamide
CID 16009277
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide
CID 20855710
N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858730
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 2558400
2-(5-(4-(Dimethylamino)phenyl)-3-phenyl-1Hpyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (15)
CID 86766214
N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307629
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5307756

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate (CID 24789618) is ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is REEWSHWVMQGCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O5S/c1-7-35-25(32)29-14-12-21(13-15-29)26-23(31)16-30(22-10-8-20(9-11-22)17(2)3)36(33,34)24-18(4)27-28(6)19(24)5/h8-11,17,21H,7,12-16H2,1-6H3,(H,26,31).
What are the key properties of ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 519.67 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 24789618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).