N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide

C15H24N4O2S — CID 22974122

IUPACN-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide
SMILESCCC(C)CSCCC(=O)Nc1ccc(NC(=O)NN)cc1
InChIInChI=1S/C15H24N4O2S/c1-3-11(2)10-22-9-8-14(20)17-12-4-6-13(7-5-12)18-15(21)19-16/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyWZTKAGMCHDFRDB-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.79
Rot. Bonds8

About N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide

N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide (PubChem CID 22974122) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide
PubChem CID22974122
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide
SMILESCCC(C)CSCCC(=O)Nc1ccc(NC(=O)NN)cc1
InChIInChI=1S/C15H24N4O2S/c1-3-11(2)10-22-9-8-14(20)17-12-4-6-13(7-5-12)18-15(21)19-16/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyWZTKAGMCHDFRDB-UHFFFAOYSA-N
XLogP2.79
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(methylaminocarbamoylamino)phenyl]-4-(2-methylbutylsulfanyl)butanamide
CID 142196216
N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107748971
N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748913
N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748890
5-(2-methylbutylsulfanyl)pentanehydrazide
CID 107761022
3-(2-aminopropylsulfanyl)-N-phenylpropanamide
CID 66220664
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008
(2R)-2-amino-3-(3-anilino-3-oxopropyl)sulfanylpropanoic acid
CID 61142275
3-(3-amino-2-methylpropyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 66224940
3-[3-(4-iodoanilino)-3-oxopropyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 4079890
4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66224257
5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide
CID 82011170

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide?
The IUPAC name of N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide (CID 22974122) is N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide.
What is the SMILES notation for N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide?
The canonical SMILES for N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide is CCC(C)CSCCC(=O)Nc1ccc(NC(=O)NN)cc1.
What is the InChIKey of N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide?
The InChIKey is WZTKAGMCHDFRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-11(2)10-22-9-8-14(20)17-12-4-6-13(7-5-12)18-15(21)19-16/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide?
N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide has a molecular weight of 324.45 g/mol, XLogP of 2.79, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide is sourced from PubChem (CID 22974122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).