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

C13H22ClN3O3S — CID 119341505

IUPAC(2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCCC(C)NS(=O)(=O)c1cccc(NC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-4-9(2)16-20(18,19)12-7-5-6-11(8-12)15-13(17)10(3)14;/h5-10,16H,4,14H2,1-3H3,(H,15,17);1H/t9?,10-;/m0./s1
InChIKeyPQFRKAMJYAMMBN-FTCYEJDNSA-N
MW335.86 g/mol
LogP1.47
Rot. Bonds6

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

(2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119341505) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119341505
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name(2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCCC(C)NS(=O)(=O)c1cccc(NC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-4-9(2)16-20(18,19)12-7-5-6-11(8-12)15-13(17)10(3)14;/h5-10,16H,4,14H2,1-3H3,(H,15,17);1H/t9?,10-;/m0./s1
InChIKeyPQFRKAMJYAMMBN-FTCYEJDNSA-N
XLogP1.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
1-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119341523
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119293956
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
4-[[3-(butan-2-ylsulfamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122087045
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
3-(butan-2-ylsulfamoyl)benzenecarbothioamide
CID 24711607
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119341505) is (2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride is CCC(C)NS(=O)(=O)c1cccc(NC(=O)[C@H](C)N)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is PQFRKAMJYAMMBN-FTCYEJDNSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-4-9(2)16-20(18,19)12-7-5-6-11(8-12)15-13(17)10(3)14;/h5-10,16H,4,14H2,1-3H3,(H,15,17);1H/t9?,10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119341505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).