N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide

C15H13N5O4S — CID 10043987

IUPACN-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide
SMILESNNC(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H13N5O4S/c16-19-14(22)10-1-5-11(6-2-10)17-15(25)18-13(21)9-3-7-12(8-4-9)20(23)24/h1-8H,16H2,(H,19,22)(H2,17,18,21,25)
InChIKeySGYAXJZYQCLPFK-UHFFFAOYSA-N
MW359.37 g/mol
LogP1.33
Rot. Bonds4

About N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide

N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide (PubChem CID 10043987) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide
PubChem CID10043987
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC NameN-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide
SMILESNNC(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H13N5O4S/c16-19-14(22)10-1-5-11(6-2-10)17-15(25)18-13(21)9-3-7-12(8-4-9)20(23)24/h1-8H,16H2,(H,19,22)(H2,17,18,21,25)
InChIKeySGYAXJZYQCLPFK-UHFFFAOYSA-N
XLogP1.33
TPSA139.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxyphenyl)carbamothioyl]-4-nitrobenzamide
CID 3470805
N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 702118
N-butan-2-yl-4-[(4-nitrobenzoyl)carbamothioylamino]benzamide
CID 17201421
4-nitrobenzohydrazide;hydrochloride
CID 172718286
tert-butyl 4-[(4-nitrobenzoyl)carbamothioylamino]benzoate
CID 139669943
N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-4-nitrobenzamide
CID 5089049
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-4-nitrobenzamide
CID 5153728
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-nitrobenzamide
CID 3476047
4-[(4-nitrophenyl)carbamothioylamino]benzamide
CID 2956829
3,4,5-triethoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
CID 2899794
3-iodo-N-[(4-nitrophenyl)carbamothioyl]benzamide
CID 2897427
3-nitro-N-[[4-[(3-nitrobenzoyl)carbamothioylamino]phenyl]carbamothioyl]benzamide
CID 15530441

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide?
The IUPAC name of N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide (CID 10043987) is N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide.
What is the SMILES notation for N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide?
The canonical SMILES for N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide is NNC(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide?
The InChIKey is SGYAXJZYQCLPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c16-19-14(22)10-1-5-11(6-2-10)17-15(25)18-13(21)9-3-7-12(8-4-9)20(23)24/h1-8H,16H2,(H,19,22)(H2,17,18,21,25).
What are the key properties of N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide?
N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide has a molecular weight of 359.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide is sourced from PubChem (CID 10043987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).