N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide

C17H22N4O3S — CID 3222025

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide
SMILESCOc1ccc(C)cc1N(CC(=O)NC(C)(C)C)C(=O)c1csnn1
InChIInChI=1S/C17H22N4O3S/c1-11-6-7-14(24-5)13(8-11)21(9-15(22)18-17(2,3)4)16(23)12-10-25-20-19-12/h6-8,10H,9H2,1-5H3,(H,18,22)
InChIKeyLDHFGKLFFGYJCC-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 3222025) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide
PubChem CID3222025
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide
SMILESCOc1ccc(C)cc1N(CC(=O)NC(C)(C)C)C(=O)c1csnn1
InChIInChI=1S/C17H22N4O3S/c1-11-6-7-14(24-5)13(8-11)21(9-15(22)18-17(2,3)4)16(23)12-10-25-20-19-12/h6-8,10H,9H2,1-5H3,(H,18,22)
InChIKeyLDHFGKLFFGYJCC-UHFFFAOYSA-N
XLogP2.42
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 43814259
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
CID 3222156
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3221805
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 4995947
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
N-[(1R)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410449
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 43815572
N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 5175531
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222309
2-(N-acetyl-2-bromo-4-methylanilino)-N-tert-butylacetamide
CID 113178016
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219279

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide (CID 3222025) is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide is COc1ccc(C)cc1N(CC(=O)NC(C)(C)C)C(=O)c1csnn1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is LDHFGKLFFGYJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-6-7-14(24-5)13(8-11)21(9-15(22)18-17(2,3)4)16(23)12-10-25-20-19-12/h6-8,10H,9H2,1-5H3,(H,18,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.42, 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)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).