N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide

C24H32N4O3S — CID 1029885

IUPACN-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NC3CCCCC3)cs2)C(C)C)cc1
InChIInChI=1S/C24H32N4O3S/c1-16(2)28(23(31)18-11-9-17(3)10-12-18)14-22(30)27-24-26-20(15-32-24)13-21(29)25-19-7-5-4-6-8-19/h9-12,15-16,19H,4-8,13-14H2,1-3H3,(H,25,29)(H,26,27,30)
InChIKeyGOEJKVPPXPBEIA-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.93
Rot. Bonds8

About N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide

N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide (PubChem CID 1029885) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
PubChem CID1029885
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NC3CCCCC3)cs2)C(C)C)cc1
InChIInChI=1S/C24H32N4O3S/c1-16(2)28(23(31)18-11-9-17(3)10-12-18)14-22(30)27-24-26-20(15-32-24)13-21(29)25-19-7-5-4-6-8-19/h9-12,15-16,19H,4-8,13-14H2,1-3H3,(H,25,29)(H,26,27,30)
InChIKeyGOEJKVPPXPBEIA-UHFFFAOYSA-N
XLogP3.93
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030947
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 5240773
N-[2-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029922
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4534900
N-[2-[[4-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029921
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
CID 42780675
4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029904
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029867
4-fluoro-N-[2-oxo-2-[[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 1029792
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 4536086
N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 3502903

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide (CID 1029885) is N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NC3CCCCC3)cs2)C(C)C)cc1.
What is the InChIKey of N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is GOEJKVPPXPBEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-16(2)28(23(31)18-11-9-17(3)10-12-18)14-22(30)27-24-26-20(15-32-24)13-21(29)25-19-7-5-4-6-8-19/h9-12,15-16,19H,4-8,13-14H2,1-3H3,(H,25,29)(H,26,27,30).
What are the key properties of N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide?
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 456.61 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 1029885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).