N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C21H19N3O3S — CID 46568531

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C21H19N3O3S/c25-20(14-7-8-14)23-16-4-2-5-17(10-16)24-21(26)15-3-1-6-19(9-15)27-11-18-12-28-13-22-18/h1-6,9-10,12-14H,7-8,11H2,(H,23,25)(H,24,26)
InChIKeyGINIQCLUGSUTQK-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.32
Rot. Bonds7

About N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 46568531) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID46568531
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C21H19N3O3S/c25-20(14-7-8-14)23-16-4-2-5-17(10-16)24-21(26)15-3-1-6-19(9-15)27-11-18-12-28-13-22-18/h1-6,9-10,12-14H,7-8,11H2,(H,23,25)(H,24,26)
InChIKeyGINIQCLUGSUTQK-UHFFFAOYSA-N
XLogP4.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86866369
N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87008296
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927861
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 46568531) is N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is GINIQCLUGSUTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-20(14-7-8-14)23-16-4-2-5-17(10-16)24-21(26)15-3-1-6-19(9-15)27-11-18-12-28-13-22-18/h1-6,9-10,12-14H,7-8,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 393.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 46568531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).