N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide

C22H27N3O4S — CID 30127600

IUPACN'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O4S/c1-17-6-5-7-19(16-17)24-22(27)21(26)23-13-12-18-8-10-20(11-9-18)30(28,29)25-14-3-2-4-15-25/h5-11,16H,2-4,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyLVRCLGZSCQXJAG-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.47
Rot. Bonds6

About N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide

N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide (PubChem CID 30127600) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
PubChem CID30127600
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O4S/c1-17-6-5-7-19(16-17)24-22(27)21(26)23-13-12-18-8-10-20(11-9-18)30(28,29)25-14-3-2-4-15-25/h5-11,16H,2-4,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyLVRCLGZSCQXJAG-UHFFFAOYSA-N
XLogP2.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30127263
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
N'-(2-bromophenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30127041
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
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
N-(3-methoxypropyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126490
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
2-(3-methylanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824087
N'-(4-bromophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127095
N-[2-(3-methylphenyl)ethyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 3184652
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide (CID 30127600) is N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide is Cc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
The InChIKey is LVRCLGZSCQXJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-17-6-5-7-19(16-17)24-22(27)21(26)23-13-12-18-8-10-20(11-9-18)30(28,29)25-14-3-2-4-15-25/h5-11,16H,2-4,12-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide has a molecular weight of 429.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide is sourced from PubChem (CID 30127600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).