N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide

C22H24N4O2S — CID 3222136

IUPACN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H24N4O2S/c1-4-22(2,3)23-20(27)14-26(21(28)18-15-29-25-24-18)19-13-9-8-12-17(19)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,23,27)
InChIKeyGYUMPXULUWFKEV-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.16
Rot. Bonds7

About N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide

N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide (PubChem CID 3222136) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide
PubChem CID3222136
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H24N4O2S/c1-4-22(2,3)23-20(27)14-26(21(28)18-15-29-25-24-18)19-13-9-8-12-17(19)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,23,27)
InChIKeyGYUMPXULUWFKEV-UHFFFAOYSA-N
XLogP4.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide (CID 3222136) is N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide?
The InChIKey is GYUMPXULUWFKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-4-22(2,3)23-20(27)14-26(21(28)18-15-29-25-24-18)19-13-9-8-12-17(19)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide?
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).