(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride

C14H24ClN3O3S — CID 119307074

IUPAC(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-10(2)17-21(19,20)9-13-7-5-4-6-12(13)8-16-14(18)11(3)15;/h4-7,10-11,17H,8-9,15H2,1-3H3,(H,16,18);1H/t11-;/m0./s1
InChIKeyRPOMIQZIPFNWBF-MERQFXBCSA-N
MW349.88 g/mol
LogP0.90
Rot. Bonds7

About (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride

(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119307074) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID119307074
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Name(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-10(2)17-21(19,20)9-13-7-5-4-6-12(13)8-16-14(18)11(3)15;/h4-7,10-11,17H,8-9,15H2,1-3H3,(H,16,18);1H/t11-;/m0./s1
InChIKeyRPOMIQZIPFNWBF-MERQFXBCSA-N
XLogP0.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 24616463

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride (CID 119307074) is (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is RPOMIQZIPFNWBF-MERQFXBCSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-10(2)17-21(19,20)9-13-7-5-4-6-12(13)8-16-14(18)11(3)15;/h4-7,10-11,17H,8-9,15H2,1-3H3,(H,16,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119307074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).