2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride

C20H26ClN3O3S — CID 120589424

IUPAC2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
SMILESCC(N)(C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-20(21,17-7-3-2-4-8-17)19(24)22-15-16-9-11-18(12-10-16)27(25,26)23-13-5-6-14-23;/h2-4,7-12H,5-6,13-15,21H2,1H3,(H,22,24);1H
InChIKeyOLXQZRFJYQWUCB-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.38
Rot. Bonds6

About 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride

2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride (PubChem CID 120589424) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
PubChem CID120589424
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
SMILESCC(N)(C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-20(21,17-7-3-2-4-8-17)19(24)22-15-16-9-11-18(12-10-16)27(25,26)23-13-5-6-14-23;/h2-4,7-12H,5-6,13-15,21H2,1H3,(H,22,24);1H
InChIKeyOLXQZRFJYQWUCB-UHFFFAOYSA-N
XLogP2.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120587270
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120596728
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide;hydrochloride
CID 119944773
2-amino-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 120588462
1-benzyl-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 110953045
2-amino-2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 119272019
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119944774
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride (CID 120589424) is 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride is CC(N)(C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is OLXQZRFJYQWUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-20(21,17-7-3-2-4-8-17)19(24)22-15-16-9-11-18(12-10-16)27(25,26)23-13-5-6-14-23;/h2-4,7-12H,5-6,13-15,21H2,1H3,(H,22,24);1H.
What are the key properties of 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride?
2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120589424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).