N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide

C18H18N4O2S2 — CID 3670704

IUPACN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1cccs1)C(=O)c1csnn1)NCCc1ccccc1
InChIInChI=1S/C18H18N4O2S2/c23-17(19-9-8-14-5-2-1-3-6-14)12-22(11-15-7-4-10-25-15)18(24)16-13-26-21-20-16/h1-7,10,13H,8-9,11-12H2,(H,19,23)
InChIKeyQUQPFTJVYBETJC-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.60
Rot. Bonds8

About N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide

N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide (PubChem CID 3670704) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide
PubChem CID3670704
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1cccs1)C(=O)c1csnn1)NCCc1ccccc1
InChIInChI=1S/C18H18N4O2S2/c23-17(19-9-8-14-5-2-1-3-6-14)12-22(11-15-7-4-10-25-15)18(24)16-13-26-21-20-16/h1-7,10,13H,8-9,11-12H2,(H,19,23)
InChIKeyQUQPFTJVYBETJC-UHFFFAOYSA-N
XLogP2.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
CID 3222052
N-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24792271
N-(3-acetylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24793351
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090952
N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 3221963
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
N-benzyl-N-butylthiadiazole-4-carboxamide
CID 42789403
2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8801393
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide (CID 3670704) is N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide is O=C(CN(Cc1cccs1)C(=O)c1csnn1)NCCc1ccccc1.
What is the InChIKey of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide?
The InChIKey is QUQPFTJVYBETJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c23-17(19-9-8-14-5-2-1-3-6-14)12-22(11-15-7-4-10-25-15)18(24)16-13-26-21-20-16/h1-7,10,13H,8-9,11-12H2,(H,19,23).
What are the key properties of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide?
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3670704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).