N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide

C18H14ClIN2OS — CID 155967003

IUPACN-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)NCc2ccc(I)cc2Cl)s1
InChIInChI=1S/C18H14ClIN2OS/c1-11-9-21-7-6-14(11)16-4-5-17(24-16)18(23)22-10-12-2-3-13(20)8-15(12)19/h2-9H,10H2,1H3,(H,22,23)
InChIKeyAYXKKFFAVNOGHT-UHFFFAOYSA-N
MW468.75 g/mol
LogP5.31
Rot. Bonds4

About N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide

N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 155967003) has the molecular formula C18H14ClIN2OS and a molecular weight of 468.75 g/mol. Its IUPAC name is N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
PubChem CID155967003
Molecular FormulaC18H14ClIN2OS
Molecular Weight468.75 g/mol
Exact Mass467.96
IUPAC NameN-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)NCc2ccc(I)cc2Cl)s1
InChIInChI=1S/C18H14ClIN2OS/c1-11-9-21-7-6-14(11)16-4-5-17(24-16)18(23)22-10-12-2-3-13(20)8-15(12)19/h2-9H,10H2,1H3,(H,22,23)
InChIKeyAYXKKFFAVNOGHT-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.75
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 114700584
N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218181
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218469
1-[5-(2-chloro-4-iodophenyl)thiophen-2-yl]propan-1-one
CID 107607464
(E)-3-[5-[(4-methyl-3-pyridinyl)methylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 114957413
3-methyl-4-(5-methylthiophen-2-yl)pyridine
CID 163257476
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide
CID 162436580
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
CID 81233279
1-[5-[5-(4-methyl-3-pyridinyl)thiophen-2-yl]thiophen-2-yl]ethanone
CID 86217197

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide (CID 155967003) is N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide is Cc1cnccc1-c1ccc(C(=O)NCc2ccc(I)cc2Cl)s1.
What is the InChIKey of N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is AYXKKFFAVNOGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClIN2OS/c1-11-9-21-7-6-14(11)16-4-5-17(24-16)18(23)22-10-12-2-3-13(20)8-15(12)19/h2-9H,10H2,1H3,(H,22,23).
What are the key properties of N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide?
N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 468.75 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 155967003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).