N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide

C24H26N4O2S — CID 3219206

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C24H26N4O2S/c1-17-9-8-14-20(15-17)28(24(30)21-16-31-27-26-21)22(18-10-4-2-5-11-18)23(29)25-19-12-6-3-7-13-19/h2,4-5,8-11,14-16,19,22H,3,6-7,12-13H2,1H3,(H,25,29)
InChIKeyUSPRDMFVMIBBBZ-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.68
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219206) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
PubChem CID3219206
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C24H26N4O2S/c1-17-9-8-14-20(15-17)28(24(30)21-16-31-27-26-21)22(18-10-4-2-5-11-18)23(29)25-19-12-6-3-7-13-19/h2,4-5,8-11,14-16,19,22H,3,6-7,12-13H2,1H3,(H,25,29)
InChIKeyUSPRDMFVMIBBBZ-UHFFFAOYSA-N
XLogP4.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 3219361
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 1467656
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410432
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 25410089
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7435130
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222586
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221927
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide (CID 3219206) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide is Cc1cccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCCC2)c2ccccc2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is USPRDMFVMIBBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-9-8-14-20(15-17)28(24(30)21-16-31-27-26-21)22(18-10-4-2-5-11-18)23(29)25-19-12-6-3-7-13-19/h2,4-5,8-11,14-16,19,22H,3,6-7,12-13H2,1H3,(H,25,29).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.68, 6 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-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).