N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide

C18H22N4O2S — CID 7404533

IUPACN-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C18H22N4O2S/c1-18(2,3)19-16(23)15(12-7-5-4-6-8-12)22(13-9-10-13)17(24)14-11-25-21-20-14/h4-8,11,13,15H,9-10H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyRXKSRCAQOCWQBD-OAHLLOKOSA-N
MW358.47 g/mol
LogP2.80
Rot. Bonds5

About N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide

N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 7404533) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID7404533
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C18H22N4O2S/c1-18(2,3)19-16(23)15(12-7-5-4-6-8-12)22(13-9-10-13)17(24)14-11-25-21-20-14/h4-8,11,13,15H,9-10H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyRXKSRCAQOCWQBD-OAHLLOKOSA-N
XLogP2.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.80
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)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404559
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222430
N-[(1R)-2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 7435095
N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222383
N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 7434990
N-[2-(tert-butylamino)-1-(2-chloro-6-fluorophenyl)-2-oxoethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222439
N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide
CID 7224488
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404334
N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
CID 5014191
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3219164
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)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 7404533) is N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide is CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)C1CC1.
What is the InChIKey of N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is RXKSRCAQOCWQBD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-18(2,3)19-16(23)15(12-7-5-4-6-8-12)22(13-9-10-13)17(24)14-11-25-21-20-14/h4-8,11,13,15H,9-10H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.80, 5 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)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 7404533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).