2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide

C25H33N3O5S — CID 100768401

IUPAC2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C25H33N3O5S/c1-3-15-26-25(30)21-9-5-6-10-22(21)27-24(29)14-11-19-18-20(12-13-23(19)33-2)34(31,32)28-16-7-4-8-17-28/h5-6,9-10,12-13,18H,3-4,7-8,11,14-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyUJSRFBDTZZWYJH-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.58
Rot. Bonds10

About 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide

2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide (PubChem CID 100768401) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
PubChem CID100768401
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C25H33N3O5S/c1-3-15-26-25(30)21-9-5-6-10-22(21)27-24(29)14-11-19-18-20(12-13-23(19)33-2)34(31,32)28-16-7-4-8-17-28/h5-6,9-10,12-13,18H,3-4,7-8,11,14-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyUJSRFBDTZZWYJH-UHFFFAOYSA-N
XLogP3.58
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
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
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 100767673
N-(furan-2-ylmethyl)-2-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 100774905
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-(2-phenylsulfanylphenyl)propanamide
CID 100617845
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
CID 55370121
2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 43005431
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
CID 100504157

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide?
The IUPAC name of 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide (CID 100768401) is 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC.
What is the InChIKey of 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide?
The InChIKey is UJSRFBDTZZWYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-3-15-26-25(30)21-9-5-6-10-22(21)27-24(29)14-11-19-18-20(12-13-23(19)33-2)34(31,32)28-16-7-4-8-17-28/h5-6,9-10,12-13,18H,3-4,7-8,11,14-17H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide?
2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide has a molecular weight of 487.62 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 100768401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).