N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide

C23H17N3O2S — CID 18450942

IUPACN-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)c3c(-c4cc5ccccc5o4)csc23)cc1
InChIInChI=1S/C23H17N3O2S/c1-13(27)26-16-8-6-14(7-9-16)17-11-25-23(24)21-18(12-29-22(17)21)20-10-15-4-2-3-5-19(15)28-20/h2-12H,1H3,(H2,24,25)(H,26,27)
InChIKeyUSJSAAQIHJRWFV-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.92
Rot. Bonds3

About N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide

N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide (PubChem CID 18450942) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide
PubChem CID18450942
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC NameN-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)c3c(-c4cc5ccccc5o4)csc23)cc1
InChIInChI=1S/C23H17N3O2S/c1-13(27)26-16-8-6-14(7-9-16)17-11-25-23(24)21-18(12-29-22(17)21)20-10-15-4-2-3-5-19(15)28-20/h2-12H,1H3,(H2,24,25)(H,26,27)
InChIKeyUSJSAAQIHJRWFV-UHFFFAOYSA-N
XLogP5.92
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-amino-7-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 70685599
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2715669
1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea
CID 18451197
N-[4-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)thieno[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
CID 18450949
N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]acetamide
CID 18451353
1-[4-[4-amino-7-(3-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451206
N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 18451278
N-[4-[4-amino-7-[4-(hydroxymethyl)phenyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 18451248
N-[4-[4-amino-7-[3-(diethylamino)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 68678250
1-[4-[4-amino-7-(2,6-difluoro-3-pyridinyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 18451082
4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine
CID 142739735
1-[4-[4-amino-7-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
CID 70681377

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide (CID 18450942) is N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc(N)c3c(-c4cc5ccccc5o4)csc23)cc1.
What is the InChIKey of N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide?
The InChIKey is USJSAAQIHJRWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-13(27)26-16-8-6-14(7-9-16)17-11-25-23(24)21-18(12-29-22(17)21)20-10-15-4-2-3-5-19(15)28-20/h2-12H,1H3,(H2,24,25)(H,26,27).
What are the key properties of N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide?
N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide has a molecular weight of 399.48 g/mol, XLogP of 5.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-3-(1-benzofuran-2-yl)thieno[3,2-c]pyridin-7-yl]phenyl]acetamide is sourced from PubChem (CID 18450942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).