N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide

C20H25N3O3S — CID 46410718

IUPACN-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C20H25N3O3S/c21-27(25,26)19-9-6-16(7-10-19)8-11-20(24)22-18-5-3-4-17(14-18)15-23-12-1-2-13-23/h3-7,9-10,14H,1-2,8,11-13,15H2,(H,22,24)(H2,21,25,26)
InChIKeyIKNXNASDBJITCY-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.50
Rot. Bonds7

About N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide

N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide (PubChem CID 46410718) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
PubChem CID46410718
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(CN3CCCC3)c2)cc1
InChIInChI=1S/C20H25N3O3S/c21-27(25,26)19-9-6-16(7-10-19)8-11-20(24)22-18-5-3-4-17(14-18)15-23-12-1-2-13-23/h3-7,9-10,14H,1-2,8,11-13,15H2,(H,22,24)(H2,21,25,26)
InChIKeyIKNXNASDBJITCY-UHFFFAOYSA-N
XLogP2.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56545126
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
3-(3-bromo-4-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 34453729
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46417093
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 41438320
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide (CID 46410718) is N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(CN3CCCC3)c2)cc1.
What is the InChIKey of N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is IKNXNASDBJITCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c21-27(25,26)19-9-6-16(7-10-19)8-11-20(24)22-18-5-3-4-17(14-18)15-23-12-1-2-13-23/h3-7,9-10,14H,1-2,8,11-13,15H2,(H,22,24)(H2,21,25,26).
What are the key properties of N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide?
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 46410718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).