N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

C23H20N4O2S2 — CID 24792303

IUPACN-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESCc1ccsc1C(C(=O)NCc1ccccc1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C23H20N4O2S2/c1-16-12-13-30-21(16)20(22(28)24-14-17-8-4-2-5-9-17)27(18-10-6-3-7-11-18)23(29)19-15-31-26-25-19/h2-13,15,20H,14H2,1H3,(H,24,28)
InChIKeyXIQWPJALJKQGPW-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.61
Rot. Bonds7

About N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide

N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (PubChem CID 24792303) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
PubChem CID24792303
Molecular FormulaC23H20N4O2S2
Molecular Weight448.57 g/mol
Exact Mass448.10
IUPAC NameN-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
SMILESCc1ccsc1C(C(=O)NCc1ccccc1)N(C(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C23H20N4O2S2/c1-16-12-13-30-21(16)20(22(28)24-14-17-8-4-2-5-9-17)27(18-10-6-3-7-11-18)23(29)19-15-31-26-25-19/h2-13,15,20H,14H2,1H3,(H,24,28)
InChIKeyXIQWPJALJKQGPW-UHFFFAOYSA-N
XLogP4.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 1452011
N-[(1S)-2-(benzylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 1452073
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552695
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552664
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552663
N-[(1S)-2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452336
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51552912
N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221752
N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 3222013
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51508354
N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552633
N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 51687295

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide (CID 24792303) is N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is Cc1ccsc1C(C(=O)NCc1ccccc1)N(C(=O)c1csnn1)c1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
The InChIKey is XIQWPJALJKQGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c1-16-12-13-30-21(16)20(22(28)24-14-17-8-4-2-5-9-17)27(18-10-6-3-7-11-18)23(29)19-15-31-26-25-19/h2-13,15,20H,14H2,1H3,(H,24,28).
What are the key properties of N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide?
N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 24792303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).