N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide

C22H30N4O2S — CID 3222383

IUPACN-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(C(C)C)cc1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C22H30N4O2S/c1-6-22(4,5)23-20(27)19(16-9-7-15(8-10-16)14(2)3)26(17-11-12-17)21(28)18-13-29-25-24-18/h7-10,13-14,17,19H,6,11-12H2,1-5H3,(H,23,27)
InChIKeySZOSAXNXKFQEPJ-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.31
Rot. Bonds8

About N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide

N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide (PubChem CID 3222383) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide
PubChem CID3222383
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(C(C)C)cc1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C22H30N4O2S/c1-6-22(4,5)23-20(27)19(16-9-7-15(8-10-16)14(2)3)26(17-11-12-17)21(28)18-13-29-25-24-18/h7-10,13-14,17,19H,6,11-12H2,1-5H3,(H,23,27)
InChIKeySZOSAXNXKFQEPJ-UHFFFAOYSA-N
XLogP4.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404559
N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
CID 5014191
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-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718
N-cyclopropyl-N-[(1S)-2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 7412199
N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 7434990
N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide
CID 3221941
N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221828
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3222505
N-[(1R)-2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 7435095

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide (CID 3222383) is N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)C(c1ccc(C(C)C)cc1)N(C(=O)c1csnn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide?
The InChIKey is SZOSAXNXKFQEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-6-22(4,5)23-20(27)19(16-9-7-15(8-10-16)14(2)3)26(17-11-12-17)21(28)18-13-29-25-24-18/h7-10,13-14,17,19H,6,11-12H2,1-5H3,(H,23,27).
What are the key properties of N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide?
N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).