(2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride

C14H24ClN3O3S — CID 119309214

IUPAC(2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
SMILESCC(C)NS(=O)(=O)CCNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-11(2)17-21(19,20)9-8-16-14(18)13(15)10-12-6-4-3-5-7-12;/h3-7,11,13,17H,8-10,15H2,1-2H3,(H,16,18);1H/t13-;/m0./s1
InChIKeyYBZQFGMYDKIEAP-ZOWNYOTGSA-N
MW349.88 g/mol
LogP0.42
Rot. Bonds8

About (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride

(2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride (PubChem CID 119309214) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
PubChem CID119309214
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Name(2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
SMILESCC(C)NS(=O)(=O)CCNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-11(2)17-21(19,20)9-8-16-14(18)13(15)10-12-6-4-3-5-7-12;/h3-7,11,13,17H,8-10,15H2,1-2H3,(H,16,18);1H/t13-;/m0./s1
InChIKeyYBZQFGMYDKIEAP-ZOWNYOTGSA-N
XLogP0.42
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21308260
(2S)-2-amino-N-[3-(ethylsulfonylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 119311621
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethanesulfonic acid
CID 46208268
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride (CID 119309214) is (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride is CC(C)NS(=O)(=O)CCNC(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride?
The InChIKey is YBZQFGMYDKIEAP-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-11(2)17-21(19,20)9-8-16-14(18)13(15)10-12-6-4-3-5-7-12;/h3-7,11,13,17H,8-10,15H2,1-2H3,(H,16,18);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride?
(2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119309214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).