N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide

C20H20N4O3S — CID 55868220

IUPACN-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)NCCNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C20H20N4O3S/c1-28-20-23-11-12-24(20)16-4-2-3-15(13-16)19(27)22-10-9-21-18(26)14-5-7-17(25)8-6-14/h2-8,11-13,25H,9-10H2,1H3,(H,21,26)(H,22,27)
InChIKeyALZFLGIWPVPFQI-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.46
Rot. Bonds7

About N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 55868220) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID55868220
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)NCCNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C20H20N4O3S/c1-28-20-23-11-12-24(20)16-4-2-3-15(13-16)19(27)22-10-9-21-18(26)14-5-7-17(25)8-6-14/h2-8,11-13,25H,9-10H2,1H3,(H,21,26)(H,22,27)
InChIKeyALZFLGIWPVPFQI-UHFFFAOYSA-N
XLogP2.46
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
3-(2-methylsulfanylimidazol-1-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931176
2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 55771473
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
N-(3-hydroxypropyl)-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 78887793
N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide
CID 55775678
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 87037186
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 109479308
N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 110895206
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774767
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55765112

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 55868220) is N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide is CSc1nccn1-c1cccc(C(=O)NCCNC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is ALZFLGIWPVPFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-28-20-23-11-12-24(20)16-4-2-3-15(13-16)19(27)22-10-9-21-18(26)14-5-7-17(25)8-6-14/h2-8,11-13,25H,9-10H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 55868220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).