N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

C16H28ClN3O3S — CID 119522413

IUPACN-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC(C)(C)CN)c(C)c1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-11-8-12(2)15(13(3)9-11)23(21,22)18-7-6-14(20)19-16(4,5)10-17;/h8-9,18H,6-7,10,17H2,1-5H3,(H,19,20);1H
InChIKeyGCFOALKMMVNKHY-UHFFFAOYSA-N
MW377.94 g/mol
LogP1.56
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119522413) has the molecular formula C16H28ClN3O3S and a molecular weight of 377.94 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119522413
Molecular FormulaC16H28ClN3O3S
Molecular Weight377.94 g/mol
Exact Mass377.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC(C)(C)CN)c(C)c1.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-11-8-12(2)15(13(3)9-11)23(21,22)18-7-6-14(20)19-16(4,5)10-17;/h8-9,18H,6-7,10,17H2,1-5H3,(H,19,20);1H
InChIKeyGCFOALKMMVNKHY-UHFFFAOYSA-N
XLogP1.56
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119573316
N-[1-(aminomethyl)cyclopentyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119565883
N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119475722
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314
2-methyl-2-[methyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120518710
(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119369658
N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119522177
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
2-[2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]ethylsulfanyl]acetic acid
CID 120526468

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (CID 119522413) is N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC(C)(C)CN)c(C)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is GCFOALKMMVNKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.ClH/c1-11-8-12(2)15(13(3)9-11)23(21,22)18-7-6-14(20)19-16(4,5)10-17;/h8-9,18H,6-7,10,17H2,1-5H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119522413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).