N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

C25H32N4O3S — CID 1023950

IUPACN-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)Cc2csc(NC(=O)CN(C(=O)C3CCCCC3)C3CC3)n2)cc1C
InChIInChI=1S/C25H32N4O3S/c1-16-8-9-19(12-17(16)2)26-22(30)13-20-15-33-25(27-20)28-23(31)14-29(21-10-11-21)24(32)18-6-4-3-5-7-18/h8-9,12,15,18,21H,3-7,10-11,13-14H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeyJROROCHCAPFVKP-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.45
Rot. Bonds8

About N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 1023950) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID1023950
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC NameN-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)Cc2csc(NC(=O)CN(C(=O)C3CCCCC3)C3CC3)n2)cc1C
InChIInChI=1S/C25H32N4O3S/c1-16-8-9-19(12-17(16)2)26-22(30)13-20-15-33-25(27-20)28-23(31)14-29(21-10-11-21)24(32)18-6-4-3-5-7-18/h8-9,12,15,18,21H,3-7,10-11,13-14H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeyJROROCHCAPFVKP-UHFFFAOYSA-N
XLogP4.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
CID 43996976
ethyl 1-[2-[2-[[2-[cyclohexanecarbonyl(cyclopropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 4597564
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1030341
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
CID 42780675
2-[2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 60708471
N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42778974
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 813355
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
N-cyclopropyl-N-[2-[[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 4188736
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 1023950) is N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide is Cc1ccc(NC(=O)Cc2csc(NC(=O)CN(C(=O)C3CCCCC3)C3CC3)n2)cc1C.
What is the InChIKey of N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is JROROCHCAPFVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-16-8-9-19(12-17(16)2)26-22(30)13-20-15-33-25(27-20)28-23(31)14-29(21-10-11-21)24(32)18-6-4-3-5-7-18/h8-9,12,15,18,21H,3-7,10-11,13-14H2,1-2H3,(H,26,30)(H,27,28,31).
What are the key properties of N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide?
N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 468.62 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 1023950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).