N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide

C24H28N4O4S — CID 5186555

IUPACN-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCc3ccco3)cs2)CC(C)C)cc1
InChIInChI=1S/C24H28N4O4S/c1-16(2)13-28(23(31)18-8-6-17(3)7-9-18)14-22(30)27-24-26-19(15-33-24)11-21(29)25-12-20-5-4-10-32-20/h4-10,15-16H,11-14H2,1-3H3,(H,25,29)(H,26,27,30)
InChIKeyVSTXZOLOVXBDAU-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.64
Rot. Bonds10

About N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide

N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 5186555) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID5186555
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCc3ccco3)cs2)CC(C)C)cc1
InChIInChI=1S/C24H28N4O4S/c1-16(2)13-28(23(31)18-8-6-17(3)7-9-18)14-22(30)27-24-26-19(15-33-24)11-21(29)25-12-20-5-4-10-32-20/h4-10,15-16H,11-14H2,1-3H3,(H,25,29)(H,26,27,30)
InChIKeyVSTXZOLOVXBDAU-UHFFFAOYSA-N
XLogP3.64
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 4131279
N-cyclopropyl-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1023867
3,4-dichloro-N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030114
4-methyl-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4653317
2-methylpropyl N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884016
2-[2-[[2-[(4-fluorobenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 4690946
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3,4-dichloro-N-(2-methylpropyl)benzamide
CID 4318791
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 4183857
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42778983
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
4-methyl-N-[2-[[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1029737
4-methoxy-N-(2-methylpropyl)-N-[2-oxo-2-[[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 92993504

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 5186555) is N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCc3ccco3)cs2)CC(C)C)cc1.
What is the InChIKey of N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is VSTXZOLOVXBDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-16(2)13-28(23(31)18-8-6-17(3)7-9-18)14-22(30)27-24-26-19(15-33-24)11-21(29)25-12-20-5-4-10-32-20/h4-10,15-16H,11-14H2,1-3H3,(H,25,29)(H,26,27,30).
What are the key properties of N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide?
N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 468.58 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 5186555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).