N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide

C19H23FN4O2S — CID 3243808

IUPACN-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O2S/c20-15-4-1-2-5-16(15)24-11-9-23(10-12-24)8-7-21-18(25)14-22-19(26)17-6-3-13-27-17/h1-6,13H,7-12,14H2,(H,21,25)(H,22,26)
InChIKeyXIWYPQBKYSFMJL-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.56
Rot. Bonds7

About N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3243808) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3243808
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC NameN-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O2S/c20-15-4-1-2-5-16(15)24-11-9-23(10-12-24)8-7-21-18(25)14-22-19(26)17-6-3-13-27-17/h1-6,13H,7-12,14H2,(H,21,25)(H,22,26)
InChIKeyXIWYPQBKYSFMJL-UHFFFAOYSA-N
XLogP1.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 3243808) is N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is XIWYPQBKYSFMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c20-15-4-1-2-5-16(15)24-11-9-23(10-12-24)8-7-21-18(25)14-22-19(26)17-6-3-13-27-17/h1-6,13H,7-12,14H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3243808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).