N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

C19H18ClN3OS — CID 2397415

IUPACN'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccc(Cl)s1
InChIInChI=1S/C19H18ClN3OS/c1-12-11-16(14(3)23(12)15-7-5-4-6-8-15)19(24)22-21-13(2)17-9-10-18(20)25-17/h4-11,21H,2H2,1,3H3,(H,22,24)
InChIKeyOSJXMFAYTCQOAX-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.71
Rot. Bonds5

About N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (PubChem CID 2397415) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
PubChem CID2397415
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESC=C(NNC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccc(Cl)s1
InChIInChI=1S/C19H18ClN3OS/c1-12-11-16(14(3)23(12)15-7-5-4-6-8-15)19(24)22-21-13(2)17-9-10-18(20)25-17/h4-11,21H,2H2,1,3H3,(H,22,24)
InChIKeyOSJXMFAYTCQOAX-UHFFFAOYSA-N
XLogP4.71
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (CID 2397415) is N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is C=C(NNC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccc(Cl)s1.
What is the InChIKey of N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is OSJXMFAYTCQOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-12-11-16(14(3)23(12)15-7-5-4-6-8-15)19(24)22-21-13(2)17-9-10-18(20)25-17/h4-11,21H,2H2,1,3H3,(H,22,24).
What are the key properties of N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 371.89 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-chlorothiophen-2-yl)ethenyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 2397415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).