N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

C20H26N4O2S — CID 7404559

IUPACN-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1
InChIInChI=1S/C20H26N4O2S/c1-5-13-6-8-14(9-7-13)17(18(25)21-20(2,3)4)24(15-10-11-15)19(26)16-12-27-23-22-16/h6-9,12,15,17H,5,10-11H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyDJOHGDCCXHWYLS-QGZVFWFLSA-N
MW386.52 g/mol
LogP3.36
Rot. Bonds6

About N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 7404559) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID7404559
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1
InChIInChI=1S/C20H26N4O2S/c1-5-13-6-8-14(9-7-13)17(18(25)21-20(2,3)4)24(15-10-11-15)19(26)16-12-27-23-22-16/h6-9,12,15,17H,5,10-11H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyDJOHGDCCXHWYLS-QGZVFWFLSA-N
XLogP3.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-(tert-butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7098268
N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404533
N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3219469
N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222383
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404334
N-[(1S)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)thiadiazole-4-carboxamide
CID 25411302
N-[(1R)-2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 7435095
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222430
N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
CID 5014191
N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 7434990
N-cyclopropyl-N-[(1S)-2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 7412199
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 7404559) is N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is CCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1.
What is the InChIKey of N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is DJOHGDCCXHWYLS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-5-13-6-8-14(9-7-13)17(18(25)21-20(2,3)4)24(15-10-11-15)19(26)16-12-27-23-22-16/h6-9,12,15,17H,5,10-11H2,1-4H3,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 7404559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).