N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide

C19H15ClN2O2S — CID 136715577

IUPACN-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1cccs1
InChIInChI=1S/C19H15ClN2O2S/c20-16-5-2-1-4-14(16)10-13-7-8-17(23)15(11-13)12-21-22-19(24)18-6-3-9-25-18/h1-9,11-12,23H,10H2,(H,22,24)/b21-12-
InChIKeyPJDNDLVPWJMXRE-MTJSOVHGSA-N
MW370.86 g/mol
LogP4.46
Rot. Bonds5

About N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide

N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide (PubChem CID 136715577) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide
PubChem CID136715577
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC NameN-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1cccs1
InChIInChI=1S/C19H15ClN2O2S/c20-16-5-2-1-4-14(16)10-13-7-8-17(23)15(11-13)12-21-22-19(24)18-6-3-9-25-18/h1-9,11-12,23H,10H2,(H,22,24)/b21-12-
InChIKeyPJDNDLVPWJMXRE-MTJSOVHGSA-N
XLogP4.46
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 136911367
N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 135578751
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide
CID 136690362
2-bromo-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135926012
2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 136783676
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 728473
N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 3692775
N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 1351876
5-tert-butyl-N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 135578679
N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135644256
(3S)-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136792682
(3R)-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136792681

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide (CID 136715577) is N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide is O=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1cccs1.
What is the InChIKey of N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide?
The InChIKey is PJDNDLVPWJMXRE-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-16-5-2-1-4-14(16)10-13-7-8-17(23)15(11-13)12-21-22-19(24)18-6-3-9-25-18/h1-9,11-12,23H,10H2,(H,22,24)/b21-12-.
What are the key properties of N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide?
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide has a molecular weight of 370.86 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 136715577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).