3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide

C26H33N3O6S — CID 100767673

IUPAC3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C26H33N3O6S/c1-34-24-11-10-21(36(32,33)29-15-17-35-18-16-29)19-20(24)9-12-25(30)27-23-8-4-3-7-22(23)26(31)28-13-5-2-6-14-28/h3-4,7-8,10-11,19H,2,5-6,9,12-18H2,1H3,(H,27,30)
InChIKeyZQNCTSJAFGFNGM-UHFFFAOYSA-N
MW515.63 g/mol
LogP2.91
Rot. Bonds8

About 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 100767673) has the molecular formula C26H33N3O6S and a molecular weight of 515.63 g/mol. Its IUPAC name is 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID100767673
Molecular FormulaC26H33N3O6S
Molecular Weight515.63 g/mol
Exact Mass515.21
IUPAC Name3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C26H33N3O6S/c1-34-24-11-10-21(36(32,33)29-15-17-35-18-16-29)19-20(24)9-12-25(30)27-23-8-4-3-7-22(23)26(31)28-13-5-2-6-14-28/h3-4,7-8,10-11,19H,2,5-6,9,12-18H2,1H3,(H,27,30)
InChIKeyZQNCTSJAFGFNGM-UHFFFAOYSA-N
XLogP2.91
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.63
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
CID 100692700
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 100774905
2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
CID 100768401
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-(2-phenylsulfanylphenyl)propanamide
CID 100617845
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (CID 100767673) is 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is ZQNCTSJAFGFNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O6S/c1-34-24-11-10-21(36(32,33)29-15-17-35-18-16-29)19-20(24)9-12-25(30)27-23-8-4-3-7-22(23)26(31)28-13-5-2-6-14-28/h3-4,7-8,10-11,19H,2,5-6,9,12-18H2,1H3,(H,27,30).
What are the key properties of 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 515.63 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 100767673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).