4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

C22H26N2O5S — CID 4314126

IUPAC4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H26N2O5S/c25-22(17-8-10-19(11-9-17)29-16-20-6-4-14-28-20)23-18-5-3-7-21(15-18)30(26,27)24-12-1-2-13-24/h3,5,7-11,15,20H,1-2,4,6,12-14,16H2,(H,23,25)
InChIKeyILNYXISELHTRPG-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.28
Rot. Bonds7

About 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4314126) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID4314126
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H26N2O5S/c25-22(17-8-10-19(11-9-17)29-16-20-6-4-14-28-20)23-18-5-3-7-21(15-18)30(26,27)24-12-1-2-13-24/h3,5,7-11,15,20H,1-2,4,6,12-14,16H2,(H,23,25)
InChIKeyILNYXISELHTRPG-UHFFFAOYSA-N
XLogP3.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4312919
N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42910606
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 42993641
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55705614
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 24633586
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 40986092
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 4314126) is 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is ILNYXISELHTRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c25-22(17-8-10-19(11-9-17)29-16-20-6-4-14-28-20)23-18-5-3-7-21(15-18)30(26,27)24-12-1-2-13-24/h3,5,7-11,15,20H,1-2,4,6,12-14,16H2,(H,23,25).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 430.53 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4314126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).