N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C16H28ClN3O3S — CID 119751222

IUPACN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-12(10-17-5)15(20)18-11-13-8-6-7-9-14(13)23(21,22)19-16(2,3)4;/h6-9,12,17,19H,10-11H2,1-5H3,(H,18,20);1H
InChIKeyURIYZCFERRCGGL-UHFFFAOYSA-N
MW377.94 g/mol
LogP1.66
Rot. Bonds7

About N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119751222) has the molecular formula C16H28ClN3O3S and a molecular weight of 377.94 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119751222
Molecular FormulaC16H28ClN3O3S
Molecular Weight377.94 g/mol
Exact Mass377.15
IUPAC NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-12(10-17-5)15(20)18-11-13-8-6-7-9-14(13)23(21,22)19-16(2,3)4;/h6-9,12,17,19H,10-11H2,1-5H3,(H,18,20);1H
InChIKeyURIYZCFERRCGGL-UHFFFAOYSA-N
XLogP1.66
TPSA87.30 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 ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119751202
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide
CID 60616288
3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
CID 119751225
4-[[[2-(tert-butylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030739
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119751238
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 48583634
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-[2-(3-methylphenoxy)propyl]guanidine
CID 111686130
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 48583777
(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 60590533
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111266790

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119751222) is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C.Cl.
What is the InChIKey of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is URIYZCFERRCGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.ClH/c1-12(10-17-5)15(20)18-11-13-8-6-7-9-14(13)23(21,22)19-16(2,3)4;/h6-9,12,17,19H,10-11H2,1-5H3,(H,18,20);1H.
What are the key properties of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119751222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).