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

C23H29N3O4S — CID 30126597

IUPACN-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O4S/c27-22(24-15-13-19-7-3-1-4-8-19)23(28)25-16-14-20-9-11-21(12-10-20)31(29,30)26-17-5-2-6-18-26/h1,3-4,7-12H,2,5-6,13-18H2,(H,24,27)(H,25,28)
InChIKeyCJYZLZXSTOGLQQ-UHFFFAOYSA-N
MW443.57 g/mol
LogP1.88
Rot. Bonds8

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

N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide (PubChem CID 30126597) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
PubChem CID30126597
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O4S/c27-22(24-15-13-19-7-3-1-4-8-19)23(28)25-16-14-20-9-11-21(12-10-20)31(29,30)26-17-5-2-6-18-26/h1,3-4,7-12H,2,5-6,13-18H2,(H,24,27)(H,25,28)
InChIKeyCJYZLZXSTOGLQQ-UHFFFAOYSA-N
XLogP1.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.88
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-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
(Z)-N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2,3-diphenylprop-2-enamide
CID 108759486
N'-(2-bromophenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30127041
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
N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126689
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
(E)-N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2-cyano-3-phenylprop-2-enamide
CID 108759487
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30127600
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
The IUPAC name of N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide (CID 30126597) is N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
The canonical SMILES for N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide is O=C(NCCc1ccccc1)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
The InChIKey is CJYZLZXSTOGLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-22(24-15-13-19-7-3-1-4-8-19)23(28)25-16-14-20-9-11-21(12-10-20)31(29,30)26-17-5-2-6-18-26/h1,3-4,7-12H,2,5-6,13-18H2,(H,24,27)(H,25,28).
What are the key properties of N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide has a molecular weight of 443.57 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide is sourced from PubChem (CID 30126597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).