N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide

C26H30N4O2S — CID 3200688

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCc1cccc(CN(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccccc2)c1C
InChIInChI=1S/C26H30N4O2S/c1-18-10-9-13-21(19(18)2)17-30(26(32)23-16-27-33-29-23)24(20-11-5-3-6-12-20)25(31)28-22-14-7-4-8-15-22/h3,5-6,9-13,16,22,24H,4,7-8,14-15,17H2,1-2H3,(H,28,31)
InChIKeyUSODWEBSUYEWEB-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.99
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 3200688) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID3200688
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCc1cccc(CN(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccccc2)c1C
InChIInChI=1S/C26H30N4O2S/c1-18-10-9-13-21(19(18)2)17-30(26(32)23-16-27-33-29-23)24(20-11-5-3-6-12-20)25(31)28-22-14-7-4-8-15-22/h3,5-6,9-13,16,22,24H,4,7-8,14-15,17H2,1-2H3,(H,28,31)
InChIKeyUSODWEBSUYEWEB-UHFFFAOYSA-N
XLogP4.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 3200689
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 3200686
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 5124309
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 3206147
N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
CID 52951265
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7435130
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 93473341
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
CID 1466138
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide (CID 3200688) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide is Cc1cccc(CN(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccccc2)c1C.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is USODWEBSUYEWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-18-10-9-13-21(19(18)2)17-30(26(32)23-16-27-33-29-23)24(20-11-5-3-6-12-20)25(31)28-22-14-7-4-8-15-22/h3,5-6,9-13,16,22,24H,4,7-8,14-15,17H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 4.99, 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-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 3200688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).