N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

C23H24N4O2S — CID 7434990

IUPACN-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESCc1ccc([C@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1
InChIInChI=1S/C23H24N4O2S/c1-16-7-9-18(10-8-16)21(22(28)24-14-13-17-5-3-2-4-6-17)27(19-11-12-19)23(29)20-15-30-26-25-20/h2-10,15,19,21H,11-14H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyDZXVAHAHKRRBFQ-OAQYLSRUSA-N
MW420.54 g/mol
LogP3.55
Rot. Bonds8

About N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (PubChem CID 7434990) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
PubChem CID7434990
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESCc1ccc([C@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1
InChIInChI=1S/C23H24N4O2S/c1-16-7-9-18(10-8-16)21(22(28)24-14-13-17-5-3-2-4-6-17)27(19-11-12-19)23(29)20-15-30-26-25-20/h2-10,15,19,21H,11-14H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyDZXVAHAHKRRBFQ-OAQYLSRUSA-N
XLogP3.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 3222462
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718
N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404533
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404559
N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3219469
N-[(1S)-2-(tert-butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7098268
N-[(1S)-2-(benzylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 1452073
N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222383
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (CID 7434990) is N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is Cc1ccc([C@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The InChIKey is DZXVAHAHKRRBFQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-7-9-18(10-8-16)21(22(28)24-14-13-17-5-3-2-4-6-17)27(19-11-12-19)23(29)20-15-30-26-25-20/h2-10,15,19,21H,11-14H2,1H3,(H,24,28)/t21-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 7434990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).