N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide

C25H33N3O5S — CID 55769609

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OCCC(N)=O)CC2)cc1
InChIInChI=1S/C25H33N3O5S/c1-25(2,3)19-8-10-20(11-9-19)34(31,32)28-15-12-18(13-16-28)24(30)27-21-6-4-5-7-22(21)33-17-14-23(26)29/h4-11,18H,12-17H2,1-3H3,(H2,26,29)(H,27,30)
InChIKeyCLIISDQWUIDLGC-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.28
Rot. Bonds8

About N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55769609) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55769609
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OCCC(N)=O)CC2)cc1
InChIInChI=1S/C25H33N3O5S/c1-25(2,3)19-8-10-20(11-9-19)34(31,32)28-15-12-18(13-16-28)24(30)27-21-6-4-5-7-22(21)33-17-14-23(26)29/h4-11,18H,12-17H2,1-3H3,(H2,26,29)(H,27,30)
InChIKeyCLIISDQWUIDLGC-UHFFFAOYSA-N
XLogP3.28
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 27167039
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
1-(4-tert-butylphenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 26681397
1-(4-tert-butylphenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide
CID 26582304
1-naphthalen-2-ylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 46696482
1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 39498100
N-(2-propoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26897762
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 55674924
methyl 3-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 26705017
1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 42998415
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 56516659
1-(4-tert-butylbenzoyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 126062025

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide (CID 55769609) is N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OCCC(N)=O)CC2)cc1.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CLIISDQWUIDLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-25(2,3)19-8-10-20(11-9-19)34(31,32)28-15-12-18(13-16-28)24(30)27-21-6-4-5-7-22(21)33-17-14-23(26)29/h4-11,18H,12-17H2,1-3H3,(H2,26,29)(H,27,30).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 487.62 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55769609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).