N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide

C22H24N4O3S — CID 25410805

IUPACN-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
SMILESCOc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C22H24N4O3S/c1-22(2,3)23-20(27)19(15-9-6-5-7-10-15)26(21(28)18-14-30-25-24-18)16-11-8-12-17(13-16)29-4/h5-14,19H,1-4H3,(H,23,27)/t19-/m0/s1
InChIKeyUWCVMCISEWZOQV-IBGZPJMESA-N
MW424.53 g/mol
LogP3.85
Rot. Bonds6

About N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide

N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide (PubChem CID 25410805) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
PubChem CID25410805
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
SMILESCOc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C22H24N4O3S/c1-22(2,3)23-20(27)19(15-9-6-5-7-10-15)26(21(28)18-14-30-25-24-18)16-11-8-12-17(13-16)29-4/h5-14,19H,1-4H3,(H,23,27)/t19-/m0/s1
InChIKeyUWCVMCISEWZOQV-IBGZPJMESA-N
XLogP3.85
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 25410818
N-[(1R)-2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7434827
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3219164
N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222021
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404334
N-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3219149
N-[(1R)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 25410234
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 3222102
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222599
N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3219226
N-[2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221759
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 43814259

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide (CID 25410805) is N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide is COc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide?
The InChIKey is UWCVMCISEWZOQV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-22(2,3)23-20(27)19(15-9-6-5-7-10-15)26(21(28)18-14-30-25-24-18)16-11-8-12-17(13-16)29-4/h5-14,19H,1-4H3,(H,23,27)/t19-/m0/s1.
What are the key properties of N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide?
N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 25410805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).