N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide

C19H18N4O3S — CID 92672064

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H18N4O3S/c24-19(13-27-12-16-3-7-18(8-4-16)23(25)26)21-11-15-1-5-17(6-2-15)22-10-9-20-14-22/h1-10,14H,11-13H2,(H,21,24)
InChIKeyMVNOTLUZWUSMBQ-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.33
Rot. Bonds8

About N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide

N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide (PubChem CID 92672064) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
PubChem CID92672064
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H18N4O3S/c24-19(13-27-12-16-3-7-18(8-4-16)23(25)26)21-11-15-1-5-17(6-2-15)22-10-9-20-14-22/h1-10,14H,11-13H2,(H,21,24)
InChIKeyMVNOTLUZWUSMBQ-UHFFFAOYSA-N
XLogP3.33
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 99970925
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide
CID 34906740
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
2-[(4-nitrophenyl)methylsulfanyl]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 804807
N-(2-tert-butylsulfanylethyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 2288011
(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 99952159
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide (CID 92672064) is N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
The InChIKey is MVNOTLUZWUSMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-19(13-27-12-16-3-7-18(8-4-16)23(25)26)21-11-15-1-5-17(6-2-15)22-10-9-20-14-22/h1-10,14H,11-13H2,(H,21,24).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 92672064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).