N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

C14H23N3O3S — CID 119629648

IUPACN-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C14H23N3O3S/c1-14(2,15)10-17-13(18)9-6-11-4-7-12(8-5-11)21(19,20)16-3/h4-5,7-8,16H,6,9-10,15H2,1-3H3,(H,17,18)
InChIKeyDLQMHDMPBCHSIQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.38
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 119629648) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID119629648
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C14H23N3O3S/c1-14(2,15)10-17-13(18)9-6-11-4-7-12(8-5-11)21(19,20)16-3/h4-5,7-8,16H,6,9-10,15H2,1-3H3,(H,17,18)
InChIKeyDLQMHDMPBCHSIQ-UHFFFAOYSA-N
XLogP0.38
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119608263
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180667
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 100796411
3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
5-[[3-[4-(methylsulfamoyl)phenyl]propanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110930
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide
CID 51332572

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 119629648) is N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCC(C)(C)N)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is DLQMHDMPBCHSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,15)10-17-13(18)9-6-11-4-7-12(8-5-11)21(19,20)16-3/h4-5,7-8,16H,6,9-10,15H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 313.42 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 119629648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).