N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide

C25H27N3O2S — CID 5272491

IUPACN-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)C1CCCCC1)Nc1ccc(-c2cscn2)cc1
InChIInChI=1S/C25H27N3O2S/c29-24(27-22-13-11-20(12-14-22)23-17-31-18-26-23)16-28(15-19-7-3-1-4-8-19)25(30)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16H2,(H,27,29)
InChIKeyTUYSUWYQDTYHBS-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.36
Rot. Bonds7

About N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide

N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide (PubChem CID 5272491) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide
PubChem CID5272491
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)C1CCCCC1)Nc1ccc(-c2cscn2)cc1
InChIInChI=1S/C25H27N3O2S/c29-24(27-22-13-11-20(12-14-22)23-17-31-18-26-23)16-28(15-19-7-3-1-4-8-19)25(30)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16H2,(H,27,29)
InChIKeyTUYSUWYQDTYHBS-UHFFFAOYSA-N
XLogP5.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
CID 5272322
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 5272333
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461535
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3895128
N-[2-[4-(2-amino-1,3-thiazol-4-yl)-N-methylanilino]-2-oxoethyl]-N-benzylcyclohexanecarboxamide
CID 5272247
N-benzyl-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclopentanecarboxamide
CID 42676161
(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 26315659
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide
CID 67321630
N-benzyl-N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]cyclobutanecarboxamide
CID 42676473

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide (CID 5272491) is N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide is O=C(CN(Cc1ccccc1)C(=O)C1CCCCC1)Nc1ccc(-c2cscn2)cc1.
What is the InChIKey of N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide?
The InChIKey is TUYSUWYQDTYHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c29-24(27-22-13-11-20(12-14-22)23-17-31-18-26-23)16-28(15-19-7-3-1-4-8-19)25(30)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16H2,(H,27,29).
What are the key properties of N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide?
N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 5272491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).