N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

C21H26N4O5S — CID 26923126

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ccc21
InChIInChI=1S/C21H26N4O5S/c1-13-20(14(2)30-23-13)31(28,29)24-9-6-16(7-10-24)21(27)22-18-4-5-19-17(12-18)8-11-25(19)15(3)26/h4-5,12,16H,6-11H2,1-3H3,(H,22,27)
InChIKeyDDGCRUXGJWTVOD-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.24
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 26923126) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID26923126
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ccc21
InChIInChI=1S/C21H26N4O5S/c1-13-20(14(2)30-23-13)31(28,29)24-9-6-16(7-10-24)21(27)22-18-4-5-19-17(12-18)8-11-25(19)15(3)26/h4-5,12,16H,6-11H2,1-3H3,(H,22,27)
InChIKeyDDGCRUXGJWTVOD-UHFFFAOYSA-N
XLogP2.24
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 15990507
N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26715661
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 36671702
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 55517518
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9087310
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 22109175
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26692913
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 24637683
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
(3S)-N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 27896491
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (CID 26923126) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is CC(=O)N1CCc2cc(NC(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is DDGCRUXGJWTVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-13-20(14(2)30-23-13)31(28,29)24-9-6-16(7-10-24)21(27)22-18-4-5-19-17(12-18)8-11-25(19)15(3)26/h4-5,12,16H,6-11H2,1-3H3,(H,22,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 26923126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).