N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C25H26N2O5S — CID 46385896

IUPACN-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1OC
InChIInChI=1S/C25H26N2O5S/c1-31-23-13-10-21(17-24(23)32-2)26-25(28)20-7-5-6-19(16-20)18-8-11-22(12-9-18)33(29,30)27-14-3-4-15-27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,28)
InChIKeyPNEKXXFPFOSWRN-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.41
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 46385896) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID46385896
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1OC
InChIInChI=1S/C25H26N2O5S/c1-31-23-13-10-21(17-24(23)32-2)26-25(28)20-7-5-6-19(16-20)18-8-11-22(12-9-18)33(29,30)27-14-3-4-15-27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,28)
InChIKeyPNEKXXFPFOSWRN-UHFFFAOYSA-N
XLogP4.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385878
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 46385925
1-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 1296321
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2979059
4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252591
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21368139

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 46385896) is N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is PNEKXXFPFOSWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-31-23-13-10-21(17-24(23)32-2)26-25(28)20-7-5-6-19(16-20)18-8-11-22(12-9-18)33(29,30)27-14-3-4-15-27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 46385896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).