N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide

C22H23N3O3S — CID 86835530

IUPACN,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-25(4-2)22(27)19-7-5-6-8-20(19)24-21(26)16-9-11-18(12-10-16)28-13-17-14-29-15-23-17/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyRAMGQGKOANWYPW-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.46
Rot. Bonds8

About N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide

N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide (PubChem CID 86835530) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
PubChem CID86835530
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-25(4-2)22(27)19-7-5-6-8-20(19)24-21(26)16-9-11-18(12-10-16)28-13-17-14-29-15-23-17/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyRAMGQGKOANWYPW-UHFFFAOYSA-N
XLogP4.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87031001
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26737793
N,N-dimethyl-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938525
N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134022298
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
CID 86835479
N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide
CID 86835481
N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
CID 86835460
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 8926941

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide (CID 86835530) is N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide is CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide?
The InChIKey is RAMGQGKOANWYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-25(4-2)22(27)19-7-5-6-8-20(19)24-21(26)16-9-11-18(12-10-16)28-13-17-14-29-15-23-17/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,26).
What are the key properties of N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide?
N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 86835530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).