N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

C24H19FN4O2S — CID 24792255

IUPACN-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C24H19FN4O2S/c25-19-13-11-18(12-14-19)22(23(30)26-15-17-7-3-1-4-8-17)29(20-9-5-2-6-10-20)24(31)21-16-32-28-27-21/h1-14,16,22H,15H2,(H,26,30)
InChIKeyMIGQCEPDAXWKMX-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.38
Rot. Bonds7

About N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (PubChem CID 24792255) has the molecular formula C24H19FN4O2S and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
PubChem CID24792255
Molecular FormulaC24H19FN4O2S
Molecular Weight446.51 g/mol
Exact Mass446.12
IUPAC NameN-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C24H19FN4O2S/c25-19-13-11-18(12-14-19)22(23(30)26-15-17-7-3-1-4-8-17)29(20-9-5-2-6-10-20)24(31)21-16-32-28-27-21/h1-14,16,22H,15H2,(H,26,30)
InChIKeyMIGQCEPDAXWKMX-UHFFFAOYSA-N
XLogP4.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (CID 24792255) is N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is O=C(NCc1ccccc1)C(c1ccc(F)cc1)N(C(=O)c1csnn1)c1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The InChIKey is MIGQCEPDAXWKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S/c25-19-13-11-18(12-14-19)22(23(30)26-15-17-7-3-1-4-8-17)29(20-9-5-2-6-10-20)24(31)21-16-32-28-27-21/h1-14,16,22H,15H2,(H,26,30).
What are the key properties of N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 24792255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).