N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride

C16H28ClN3O3S — CID 119751202

IUPACN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-16(2,3)19-23(21,22)14-9-6-5-8-13(14)12-18-15(20)10-7-11-17-4;/h5-6,8-9,17,19H,7,10-12H2,1-4H3,(H,18,20);1H
InChIKeyIXGAQVKKOQSHMV-UHFFFAOYSA-N
MW377.94 g/mol
LogP1.80
Rot. Bonds8

About N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119751202) has the molecular formula C16H28ClN3O3S and a molecular weight of 377.94 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119751202
Molecular FormulaC16H28ClN3O3S
Molecular Weight377.94 g/mol
Exact Mass377.15
IUPAC NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-16(2,3)19-23(21,22)14-9-6-5-8-13(14)12-18-15(20)10-7-11-17-4;/h5-6,8-9,17,19H,7,10-12H2,1-4H3,(H,18,20);1H
InChIKeyIXGAQVKKOQSHMV-UHFFFAOYSA-N
XLogP1.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119751222
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 48583777
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
CID 48583873
2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide
CID 60616288
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 48583634
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119751238
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777786
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228356
(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 60590533
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride (CID 119751202) is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C.Cl.
What is the InChIKey of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is IXGAQVKKOQSHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.ClH/c1-16(2,3)19-23(21,22)14-9-6-5-8-13(14)12-18-15(20)10-7-11-17-4;/h5-6,8-9,17,19H,7,10-12H2,1-4H3,(H,18,20);1H.
What are the key properties of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride?
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 1.80, 8 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]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119751202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).