N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide

C18H27N3O5S — CID 30127580

IUPACN'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O5S/c1-3-14(2)20-18(23)17(22)19-9-8-15-4-6-16(7-5-15)27(24,25)21-10-12-26-13-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyCDBOEKXNMGXODQ-CQSZACIVSA-N
MW397.50 g/mol
LogP0.28
Rot. Bonds7

About N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide

N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide (PubChem CID 30127580) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
PubChem CID30127580
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC NameN'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O5S/c1-3-14(2)20-18(23)17(22)19-9-8-15-4-6-16(7-5-15)27(24,25)21-10-12-26-13-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyCDBOEKXNMGXODQ-CQSZACIVSA-N
XLogP0.28
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.28
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'-butan-2-yl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 43888275
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 30126571
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
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'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127311
N'-(4-chlorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127021
N'-(4-bromophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127095
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634
phenyl N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]carbamate
CID 108736618

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
The IUPAC name of N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide (CID 30127580) is N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
The canonical SMILES for N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide is CC[C@@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
The InChIKey is CDBOEKXNMGXODQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-3-14(2)20-18(23)17(22)19-9-8-15-4-6-16(7-5-15)27(24,25)21-10-12-26-13-11-21/h4-7,14H,3,8-13H2,1-2H3,(H,19,22)(H,20,23)/t14-/m1/s1.
What are the key properties of N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide has a molecular weight of 397.50 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide is sourced from PubChem (CID 30127580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).