N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

C23H26N4O6S — CID 12006019

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H26N4O6S/c1-32-17-6-8-18(9-7-17)34(30,31)27-12-13-33-21(27)15-26-23(29)22(28)24-11-10-16-14-25-20-5-3-2-4-19(16)20/h2-9,14,21,25H,10-13,15H2,1H3,(H,24,28)(H,26,29)
InChIKeyBJHVELSBORAQAS-UHFFFAOYSA-N
MW486.55 g/mol
LogP1.00
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 12006019) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID12006019
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H26N4O6S/c1-32-17-6-8-18(9-7-17)34(30,31)27-12-13-33-21(27)15-26-23(29)22(28)24-11-10-16-14-25-20-5-3-2-4-19(16)20/h2-9,14,21,25H,10-13,15H2,1H3,(H,24,28)(H,26,29)
InChIKeyBJHVELSBORAQAS-UHFFFAOYSA-N
XLogP1.00
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 12006019) is N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is COc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is BJHVELSBORAQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-32-17-6-8-18(9-7-17)34(30,31)27-12-13-33-21(27)15-26-23(29)22(28)24-11-10-16-14-25-20-5-3-2-4-19(16)20/h2-9,14,21,25H,10-13,15H2,1H3,(H,24,28)(H,26,29).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 486.55 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 12006019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).