2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

C24H32N4O5S — CID 53011399

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C(C)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c2c1
InChIInChI=1S/C24H32N4O5S/c1-15(18-8-11-28(12-9-18)34(30,31)23-16(2)27-33-17(23)3)24(29)25-10-7-19-14-26-22-6-5-20(32-4)13-21(19)22/h5-6,13-15,18,26H,7-12H2,1-4H3,(H,25,29)
InChIKeyPINAIRNDGMHPIN-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.18
Rot. Bonds8

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (PubChem CID 53011399) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
PubChem CID53011399
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C(C)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c2c1
InChIInChI=1S/C24H32N4O5S/c1-15(18-8-11-28(12-9-18)34(30,31)23-16(2)27-33-17(23)3)24(29)25-10-7-19-14-26-22-6-5-20(32-4)13-21(19)22/h5-6,13-15,18,26H,7-12H2,1-4H3,(H,25,29)
InChIKeyPINAIRNDGMHPIN-UHFFFAOYSA-N
XLogP3.18
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (CID 53011399) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is COc1ccc2[nH]cc(CCNC(=O)C(C)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c2c1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is PINAIRNDGMHPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-15(18-8-11-28(12-9-18)34(30,31)23-16(2)27-33-17(23)3)24(29)25-10-7-19-14-26-22-6-5-20(32-4)13-21(19)22/h5-6,13-15,18,26H,7-12H2,1-4H3,(H,25,29).
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 488.61 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 53011399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).