N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide

C23H22N4O3S — CID 3222070

IUPACN-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1cccc2ccccc12
InChIInChI=1S/C23H22N4O3S/c1-23(2,3)24-21(28)20(19-12-7-13-30-19)27(22(29)17-14-31-26-25-17)18-11-6-9-15-8-4-5-10-16(15)18/h4-14,20H,1-3H3,(H,24,28)
InChIKeyYLISCNONBAYDTK-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.59
Rot. Bonds5

About N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide

N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide (PubChem CID 3222070) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide
PubChem CID3222070
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1cccc2ccccc12
InChIInChI=1S/C23H22N4O3S/c1-23(2,3)24-21(28)20(19-12-7-13-30-19)27(22(29)17-14-31-26-25-17)18-11-6-9-15-8-4-5-10-16(15)18/h4-14,20H,1-3H3,(H,24,28)
InChIKeyYLISCNONBAYDTK-UHFFFAOYSA-N
XLogP4.59
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
CID 7434893
N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 3222099
N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 7434865
N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 4995080
N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide
CID 7434961
N-[(1S)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 7434843
N-(3,5-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3221934
N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221842
N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
CID 3221993
N-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 652112
N-[(1S)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
CID 7219523
N-(3,4-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3221918

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide (CID 3222070) is N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide is CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide?
The InChIKey is YLISCNONBAYDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-23(2,3)24-21(28)20(19-12-7-13-30-19)27(22(29)17-14-31-26-25-17)18-11-6-9-15-8-4-5-10-16(15)18/h4-14,20H,1-3H3,(H,24,28).
What are the key properties of N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 3222070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).