N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide

C22H19N3OS — CID 18451351

IUPACN-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1
InChIInChI=1S/C22H19N3OS/c1-14-3-2-4-15(11-14)12-20(26)25-17-7-5-16(6-8-17)18-13-27-19-9-10-24-22(23)21(18)19/h2-11,13H,12H2,1H3,(H2,23,24)(H,25,26)
InChIKeyNIHONILVXALYIH-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.04
Rot. Bonds4

About N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide

N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide (PubChem CID 18451351) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
PubChem CID18451351
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1
InChIInChI=1S/C22H19N3OS/c1-14-3-2-4-15(11-14)12-20(26)25-17-7-5-16(6-8-17)18-13-27-19-9-10-24-22(23)21(18)19/h2-11,13H,12H2,1H3,(H2,23,24)(H,25,26)
InChIKeyNIHONILVXALYIH-UHFFFAOYSA-N
XLogP5.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 6539978
CID 6539978
CID 25218756
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CID 53466728
CID 53466728
CID 18450846
CID 18450846
CID 6539969
CID 6539969
CID 18450753
CID 18450753
CID 70693989
CID 70693989
CID 11259499
CID 11259499
CID 11590515
CID 11590515
CID 11775063
CID 11775063
CID 16066694
CID 16066694
CID 16223710
CID 16223710

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide (CID 18451351) is N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1.
What is the InChIKey of N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide?
The InChIKey is NIHONILVXALYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-14-3-2-4-15(11-14)12-20(26)25-17-7-5-16(6-8-17)18-13-27-19-9-10-24-22(23)21(18)19/h2-11,13H,12H2,1H3,(H2,23,24)(H,25,26).
What are the key properties of N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide?
N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 373.48 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 18451351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).