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

C22H27N3O5S — CID 30127263

IUPACN'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O5S/c1-30-19-7-5-6-18(16-19)24-22(27)21(26)23-13-12-17-8-10-20(11-9-17)31(28,29)25-14-3-2-4-15-25/h5-11,16H,2-4,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyKYWPOHCDCTWTAW-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.17
Rot. Bonds7

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

N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide (PubChem CID 30127263) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
PubChem CID30127263
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O5S/c1-30-19-7-5-6-18(16-19)24-22(27)21(26)23-13-12-17-8-10-20(11-9-17)31(28,29)25-14-3-2-4-15-25/h5-11,16H,2-4,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyKYWPOHCDCTWTAW-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30127600
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401
N-(3-methoxypropyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126490
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(4-piperidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248888
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 40627773
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
N'-(2-bromophenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30127041
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30126882

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide (CID 30127263) is N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide is COc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
The InChIKey is KYWPOHCDCTWTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-30-19-7-5-6-18(16-19)24-22(27)21(26)23-13-12-17-8-10-20(11-9-17)31(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-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide?
N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide has a molecular weight of 445.54 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide is sourced from PubChem (CID 30127263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).