4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide

C19H26N4O4S — CID 20630715

IUPAC4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(-c3ncco3)cc2)CC1
InChIInChI=1S/C19H26N4O4S/c1-19(2,3)28(25,26)22-16-8-11-23(12-9-16)18(24)21-15-6-4-14(5-7-15)17-20-10-13-27-17/h4-7,10,13,16,22H,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyLKIRNAHBBCEGSU-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.06
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide (PubChem CID 20630715) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
PubChem CID20630715
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(-c3ncco3)cc2)CC1
InChIInChI=1S/C19H26N4O4S/c1-19(2,3)28(25,26)22-16-8-11-23(12-9-16)18(24)21-15-6-4-14(5-7-15)17-20-10-13-27-17/h4-7,10,13,16,22H,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyLKIRNAHBBCEGSU-UHFFFAOYSA-N
XLogP3.06
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
5-methyl-1-[[4-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102704
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide
CID 20630138
4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide
CID 20629976
4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 20629800
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
CID 20629067
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
(3aS,6aR)-2-[[4-(1,3-oxazol-2-yl)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122088390
4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
CID 20629788
4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 86803982

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide (CID 20630715) is 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(-c3ncco3)cc2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is LKIRNAHBBCEGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-19(2,3)28(25,26)22-16-8-11-23(12-9-16)18(24)21-15-6-4-14(5-7-15)17-20-10-13-27-17/h4-7,10,13,16,22H,8-9,11-12H2,1-3H3,(H,21,24).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 20630715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).