N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide

C20H15N3O3S — CID 1489051

IUPACN-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1
InChIInChI=1S/C20H15N3O3S/c1-12(24)23-14-7-9-15(10-8-14)26-20-16(11-21)17(22)19(27-20)18(25)13-5-3-2-4-6-13/h2-10H,22H2,1H3,(H,23,24)
InChIKeyFKFVNEMKVJISPX-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.18
Rot. Bonds5

About N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide

N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide (PubChem CID 1489051) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide
PubChem CID1489051
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1
InChIInChI=1S/C20H15N3O3S/c1-12(24)23-14-7-9-15(10-8-14)26-20-16(11-21)17(22)19(27-20)18(25)13-5-3-2-4-6-13/h2-10H,22H2,1H3,(H,23,24)
InChIKeyFKFVNEMKVJISPX-UHFFFAOYSA-N
XLogP4.18
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide?
The IUPAC name of N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide (CID 1489051) is N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1.
What is the InChIKey of N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide?
The InChIKey is FKFVNEMKVJISPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12(24)23-14-7-9-15(10-8-14)26-20-16(11-21)17(22)19(27-20)18(25)13-5-3-2-4-6-13/h2-10H,22H2,1H3,(H,23,24).
What are the key properties of N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide?
N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide has a molecular weight of 377.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-5-benzoyl-3-cyanothiophen-2-yl)oxyphenyl]acetamide is sourced from PubChem (CID 1489051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).