N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide

C22H27N3O5S — CID 30126571

IUPACN-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O5S/c1-17(19-5-3-2-4-6-19)24-22(27)21(26)23-12-11-18-7-9-20(10-8-18)31(28,29)25-13-15-30-16-14-25/h2-10,17H,11-16H2,1H3,(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyQWLZGMRASDOIQK-KRWDZBQOSA-N
MW445.54 g/mol
LogP1.24
Rot. Bonds7

About N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide

N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 30126571) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID30126571
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O5S/c1-17(19-5-3-2-4-6-19)24-22(27)21(26)23-12-11-18-7-9-20(10-8-18)31(28,29)25-13-15-30-16-14-25/h2-10,17H,11-16H2,1H3,(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyQWLZGMRASDOIQK-KRWDZBQOSA-N
XLogP1.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127580
N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891599
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
phenyl N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]carbamate
CID 108736618
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
2,2-dimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]propanamide
CID 108736609
N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30126882
N'-butan-2-yl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 43888275
1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 2212017
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
N'-(4-bromophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127095
N'-(4-chlorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127021

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide (CID 30126571) is N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide is C[C@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is QWLZGMRASDOIQK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-17(19-5-3-2-4-6-19)24-22(27)21(26)23-12-11-18-7-9-20(10-8-18)31(28,29)25-13-15-30-16-14-25/h2-10,17H,11-16H2,1H3,(H,23,26)(H,24,27)/t17-/m0/s1.
What are the key properties of N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 445.54 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 30126571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).