N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

C22H24N4O5S — CID 41140150

IUPACN'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H24N4O5S/c27-21(23-11-10-16-14-24-19-9-5-4-8-18(16)19)22(28)25-15-20-26(12-13-31-20)32(29,30)17-6-2-1-3-7-17/h1-9,14,20,24H,10-13,15H2,(H,23,27)(H,25,28)/t20-/m1/s1
InChIKeyDBGNGSDKOJVQPP-HXUWFJFHSA-N
MW456.52 g/mol
LogP0.99
Rot. Bonds7

About N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 41140150) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID41140150
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H24N4O5S/c27-21(23-11-10-16-14-24-19-9-5-4-8-18(16)19)22(28)25-15-20-26(12-13-31-20)32(29,30)17-6-2-1-3-7-17/h1-9,14,20,24H,10-13,15H2,(H,23,27)(H,25,28)/t20-/m1/s1
InChIKeyDBGNGSDKOJVQPP-HXUWFJFHSA-N
XLogP0.99
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[[(2R)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 40785443
N'-[[(2R)-3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 41131230
N'-[[3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 16825528
N'-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 41130441
N'-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-phenylethyl)oxamide
CID 41140072
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 41140136
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
2-[[2-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methylamino]-2-oxoacetyl]amino]ethyl-diethylazanium
CID 7191407
N-[2-(2-methoxyphenyl)ethyl]-N'-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399549
N'-[[3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 12005846
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 41130214
N'-[[(2R)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(2-phenylethyl)oxamide
CID 42427977

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 41140150) is N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is DBGNGSDKOJVQPP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O5S/c27-21(23-11-10-16-14-24-19-9-5-4-8-18(16)19)22(28)25-15-20-26(12-13-31-20)32(29,30)17-6-2-1-3-7-17/h1-9,14,20,24H,10-13,15H2,(H,23,27)(H,25,28)/t20-/m1/s1.
What are the key properties of N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 456.52 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 41140150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).