N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide

C24H20N4O2S — CID 24761941

IUPACN-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c29-23(25-16-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)28(20-14-8-3-9-15-20)24(30)21-17-31-27-26-21/h1-15,17,22H,16H2,(H,25,29)
InChIKeyHBACAGKXJUAKPD-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.24
Rot. Bonds7

About N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide

N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide (PubChem CID 24761941) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide
PubChem CID24761941
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)C(c1ccccc1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c29-23(25-16-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)28(20-14-8-3-9-15-20)24(30)21-17-31-27-26-21/h1-15,17,22H,16H2,(H,25,29)
InChIKeyHBACAGKXJUAKPD-UHFFFAOYSA-N
XLogP4.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide (CID 24761941) is N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide is O=C(NCc1ccccc1)C(c1ccccc1)N(C(=O)c1csnn1)c1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide?
The InChIKey is HBACAGKXJUAKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c29-23(25-16-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)28(20-14-8-3-9-15-20)24(30)21-17-31-27-26-21/h1-15,17,22H,16H2,(H,25,29).
What are the key properties of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide?
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 24761941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).