N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide

C23H30N4O2S — CID 3222380

IUPACN-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCC(C)c1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1
InChIInChI=1S/C23H30N4O2S/c1-15(2)16-8-10-17(11-9-16)21(22(28)24-18-6-4-3-5-7-18)27(19-12-13-19)23(29)20-14-30-26-25-20/h8-11,14-15,18-19,21H,3-7,12-13H2,1-2H3,(H,24,28)
InChIKeyVKEOQNNRFLLLDU-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.46
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 3222380) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID3222380
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESCC(C)c1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1
InChIInChI=1S/C23H30N4O2S/c1-15(2)16-8-10-17(11-9-16)21(22(28)24-18-6-4-3-5-7-18)27(19-12-13-19)23(29)20-14-30-26-25-20/h8-11,14-15,18-19,21H,3-7,12-13H2,1-2H3,(H,24,28)
InChIKeyVKEOQNNRFLLLDU-UHFFFAOYSA-N
XLogP4.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid (tert-butylcarbamoyl-p-tolyl-methyl)-cyclopropyl-amide
CID 3219449
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopropyl-amide
CID 3222363
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclopentylcarbamoyl-methyl]-amide
CID 3219477
[1,2,3]Thiadiazole-4-carboxylic acid [tert-butylcarbamoyl-(4-dimethylamino-phenyl)-methyl]-cyclopropyl-amide
CID 648193
[1,2,3]Thiadiazole-4-carboxylic acid cyclopropyl-(phenethylcarbamoyl-thiophen-2-yl-methyl)-amide
CID 654825
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
CID 1452399
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-phenyl-amide
CID 3219165
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-(3-methyl-butyl)-amide
CID 3219341
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclohexylcarbamoyl-methyl]-amide
CID 3219478
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide
CID 3222136
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 3222171
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222295

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 3222380) is N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide is CC(C)c1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is VKEOQNNRFLLLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-15(2)16-8-10-17(11-9-16)21(22(28)24-18-6-4-3-5-7-18)27(19-12-13-19)23(29)20-14-30-26-25-20/h8-11,14-15,18-19,21H,3-7,12-13H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 426.59 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 3222380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).