2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide

C16H25N3O3S — CID 120668424

IUPAC2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCS(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-12-5-7-14(8-6-12)15(17)16(20)18-9-10-23(21,22)19-11-13-3-2-4-13/h5-8,13,15,19H,2-4,9-11,17H2,1H3,(H,18,20)
InChIKeyHKINPYVDULAUPG-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.83
Rot. Bonds8

About 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide

2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 120668424) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID120668424
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCS(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-12-5-7-14(8-6-12)15(17)16(20)18-9-10-23(21,22)19-11-13-3-2-4-13/h5-8,13,15,19H,2-4,9-11,17H2,1H3,(H,18,20)
InChIKeyHKINPYVDULAUPG-UHFFFAOYSA-N
XLogP0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151415
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668147
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide
CID 119323946
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151685
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]acetamide;hydrochloride
CID 119322955
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 120667696
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid
CID 106312530

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide (CID 120668424) is 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCCS(=O)(=O)NCC2CCC2)cc1.
What is the InChIKey of 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is HKINPYVDULAUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-5-7-14(8-6-12)15(17)16(20)18-9-10-23(21,22)19-11-13-3-2-4-13/h5-8,13,15,19H,2-4,9-11,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 0.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120668424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).