3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride

C20H27ClN2O3S — CID 119784239

IUPAC3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O3S.ClH/c1-14(2)26(24,25)13-16-8-7-11-18(12-16)22-20(23)15(3)19(21)17-9-5-4-6-10-17;/h4-12,14-15,19H,13,21H2,1-3H3,(H,22,23);1H
InChIKeyMVMOQNAXJYVCRX-UHFFFAOYSA-N
MW410.97 g/mol
LogP3.71
Rot. Bonds7

About 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride

3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride (PubChem CID 119784239) has the molecular formula C20H27ClN2O3S and a molecular weight of 410.97 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride
PubChem CID119784239
Molecular FormulaC20H27ClN2O3S
Molecular Weight410.97 g/mol
Exact Mass410.14
IUPAC Name3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O3S.ClH/c1-14(2)26(24,25)13-16-8-7-11-18(12-16)22-20(23)15(3)19(21)17-9-5-4-6-10-17;/h4-12,14-15,19H,13,21H2,1-3H3,(H,22,23);1H
InChIKeyMVMOQNAXJYVCRX-UHFFFAOYSA-N
XLogP3.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride 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

3-amino-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]-3-phenylpropanamide
CID 86813957
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119790386
3-amino-N-[3-(benzylsulfonylmethyl)phenyl]-2-methylbutanamide
CID 120501173
(2S)-2-amino-4-methylsulfanyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]butanamide;hydrochloride
CID 119324021
3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 119763802
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-2-methyl-3-phenyl-N-(3-propoxyphenyl)propanamide
CID 119715007
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
3-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylbutanamide
CID 120501046

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride (CID 119784239) is 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride is CC(C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride?
The InChIKey is MVMOQNAXJYVCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S.ClH/c1-14(2)26(24,25)13-16-8-7-11-18(12-16)22-20(23)15(3)19(21)17-9-5-4-6-10-17;/h4-12,14-15,19H,13,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride?
3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride has a molecular weight of 410.97 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119784239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).