2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride

C20H27ClN2O3S — CID 120668464

IUPAC2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1.Cl
InChIInChI=1S/C20H26N2O3S.ClH/c1-14-8-10-16(11-9-14)18(21)19(23)22-17-7-5-6-15(12-17)13-26(24,25)20(2,3)4;/h5-12,18H,13,21H2,1-4H3,(H,22,23);1H
InChIKeyXGIGUMPNMJEXBU-UHFFFAOYSA-N
MW410.97 g/mol
LogP3.77
Rot. Bonds5

About 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride

2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120668464) has the molecular formula C20H27ClN2O3S and a molecular weight of 410.97 g/mol. Its IUPAC name is 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120668464
Molecular FormulaC20H27ClN2O3S
Molecular Weight410.97 g/mol
Exact Mass410.14
IUPAC Name2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1.Cl
InChIInChI=1S/C20H26N2O3S.ClH/c1-14-8-10-16(11-9-14)18(21)19(23)22-17-7-5-6-15(12-17)13-26(24,25)20(2,3)4;/h5-12,18H,13,21H2,1-4H3,(H,22,23);1H
InChIKeyXGIGUMPNMJEXBU-UHFFFAOYSA-N
XLogP3.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;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

2-amino-2-(4-methylphenyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 120669180
N-[3-(tert-butylsulfonylmethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119784303
N-[3-(tert-butylsulfonylmethyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86940762
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
CID 120667141
2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]benzamide;hydrochloride
CID 119945428
4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide
CID 119324076
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120667184
2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119324202
2-amino-N-(3-butoxyphenyl)-2-(4-methylphenyl)acetamide
CID 120667763
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
2-amino-N-[3-(3-methoxypropoxy)phenyl]-2-(4-methylphenyl)acetamide
CID 120669115
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride (CID 120668464) is 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(C(N)C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1.Cl.
What is the InChIKey of 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is XGIGUMPNMJEXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S.ClH/c1-14-8-10-16(11-9-14)18(21)19(23)22-17-7-5-6-15(12-17)13-26(24,25)20(2,3)4;/h5-12,18H,13,21H2,1-4H3,(H,22,23);1H.
What are the key properties of 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride?
2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 410.97 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120668464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).