3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide

C20H25N3O3S — CID 46417093

IUPAC3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H25N3O3S/c24-20(11-12-21-27(25,26)19-9-2-1-3-10-19)22-18-8-6-7-17(15-18)16-23-13-4-5-14-23/h1-3,6-10,15,21H,4-5,11-14,16H2,(H,22,24)
InChIKeyOHBZMZYGNYXPAM-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.59
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide

3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 46417093) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
PubChem CID46417093
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H25N3O3S/c24-20(11-12-21-27(25,26)19-9-2-1-3-10-19)22-18-8-6-7-17(15-18)16-23-13-4-5-14-23/h1-3,6-10,15,21H,4-5,11-14,16H2,(H,22,24)
InChIKeyOHBZMZYGNYXPAM-UHFFFAOYSA-N
XLogP2.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 46410718
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
CID 61326883
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 46417093) is 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is OHBZMZYGNYXPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(11-12-21-27(25,26)19-9-2-1-3-10-19)22-18-8-6-7-17(15-18)16-23-13-4-5-14-23/h1-3,6-10,15,21H,4-5,11-14,16H2,(H,22,24).
What are the key properties of 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 46417093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).