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

C26H30N4O3S — CID 42778983

IUPACN-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccccc1C(=O)N(CC(=O)Nc1nc(CC(=O)NCc2ccccc2)cs1)CC(C)C
InChIInChI=1S/C26H30N4O3S/c1-18(2)15-30(25(33)22-12-8-7-9-19(22)3)16-24(32)29-26-28-21(17-34-26)13-23(31)27-14-20-10-5-4-6-11-20/h4-12,17-18H,13-16H2,1-3H3,(H,27,31)(H,28,29,32)
InChIKeyBDEZAXSSPADZKS-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.05
Rot. Bonds10

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

N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 42778983) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
PubChem CID42778983
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccccc1C(=O)N(CC(=O)Nc1nc(CC(=O)NCc2ccccc2)cs1)CC(C)C
InChIInChI=1S/C26H30N4O3S/c1-18(2)15-30(25(33)22-12-8-7-9-19(22)3)16-24(32)29-26-28-21(17-34-26)13-23(31)27-14-20-10-5-4-6-11-20/h4-12,17-18H,13-16H2,1-3H3,(H,27,31)(H,28,29,32)
InChIKeyBDEZAXSSPADZKS-UHFFFAOYSA-N
XLogP4.05
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 4149926
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
N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42778989
N-[2-[[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1030341
2-chloro-N-(2-methylpropyl)-N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 42780091
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
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-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
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 1023878
2-[2-[[2-[(4-fluorobenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 4690946
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 4183857

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide (CID 42778983) is N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide is Cc1ccccc1C(=O)N(CC(=O)Nc1nc(CC(=O)NCc2ccccc2)cs1)CC(C)C.
What is the InChIKey of N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is BDEZAXSSPADZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-18(2)15-30(25(33)22-12-8-7-9-19(22)3)16-24(32)29-26-28-21(17-34-26)13-23(31)27-14-20-10-5-4-6-11-20/h4-12,17-18H,13-16H2,1-3H3,(H,27,31)(H,28,29,32).
What are the key properties of N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide?
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 478.62 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42778983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).