N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C20H22N2O4S — CID 100681564

IUPACN-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-2-15-26-18-9-7-17(8-10-18)21-20(23)16-5-11-19(12-6-16)27(24,25)22-13-3-4-14-22/h2,5-12H,1,3-4,13-15H2,(H,21,23)
InChIKeyMPFJVRQTAMGHDM-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.29
Rot. Bonds7

About N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 100681564) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID100681564
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-2-15-26-18-9-7-17(8-10-18)21-20(23)16-5-11-19(12-6-16)27(24,25)22-13-3-4-14-22/h2,5-12H,1,3-4,13-15H2,(H,21,23)
InChIKeyMPFJVRQTAMGHDM-UHFFFAOYSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
1-(4-methoxyphenyl)sulfonyl-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 100655918
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21368139
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830

Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 100681564) is N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is C=CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is MPFJVRQTAMGHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-2-15-26-18-9-7-17(8-10-18)21-20(23)16-5-11-19(12-6-16)27(24,25)22-13-3-4-14-22/h2,5-12H,1,3-4,13-15H2,(H,21,23).
What are the key properties of N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 386.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 100681564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).