N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide

C18H22N4O2S — CID 137390669

IUPACN'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide
SMILESN[C@H](CCc1ccccc1)C(=O)NNC(=O)c1ccc(CNS)cc1
InChIInChI=1S/C18H22N4O2S/c19-16(11-8-13-4-2-1-3-5-13)18(24)22-21-17(23)15-9-6-14(7-10-15)12-20-25/h1-7,9-10,16,20,25H,8,11-12,19H2,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyUYIIJDKWCFIYLP-MRXNPFEDSA-N
MW358.47 g/mol
LogP1.34
Rot. Bonds7

About N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide

N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide (PubChem CID 137390669) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide
PubChem CID137390669
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide
SMILESN[C@H](CCc1ccccc1)C(=O)NNC(=O)c1ccc(CNS)cc1
InChIInChI=1S/C18H22N4O2S/c19-16(11-8-13-4-2-1-3-5-13)18(24)22-21-17(23)15-9-6-14(7-10-15)12-20-25/h1-7,9-10,16,20,25H,8,11-12,19H2,(H,21,23)(H,22,24)/t16-/m1/s1
InChIKeyUYIIJDKWCFIYLP-MRXNPFEDSA-N
XLogP1.34
TPSA96.25 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
N'-hydroxy-4-(4-phenylbutyl)benzohydrazide
CID 89470701
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
CID 104984735
4-(2-aminopentanoylamino)-N-(2-phenylethyl)benzamide
CID 119303509
N'-(2,2-diphenylacetyl)-4-phenylmethoxybenzohydrazide
CID 4933138
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide?
The IUPAC name of N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide (CID 137390669) is N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide.
What is the SMILES notation for N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide?
The canonical SMILES for N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide is N[C@H](CCc1ccccc1)C(=O)NNC(=O)c1ccc(CNS)cc1.
What is the InChIKey of N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide?
The InChIKey is UYIIJDKWCFIYLP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O2S/c19-16(11-8-13-4-2-1-3-5-13)18(24)22-21-17(23)15-9-6-14(7-10-15)12-20-25/h1-7,9-10,16,20,25H,8,11-12,19H2,(H,21,23)(H,22,24)/t16-/m1/s1.
What are the key properties of N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide?
N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide has a molecular weight of 358.47 g/mol, XLogP of 1.34, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-amino-4-phenylbutanoyl]-4-[(sulfanylamino)methyl]benzohydrazide is sourced from PubChem (CID 137390669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).