N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C22H21N5O3S — CID 32579219

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1
InChIInChI=1S/C22H21N5O3S/c1-3-27-13-24-26-21(27)15-5-4-6-17(9-15)25-22(28)16-7-8-19(20(10-16)29-2)30-11-18-12-31-14-23-18/h4-10,12-14H,3,11H2,1-2H3,(H,25,28)
InChIKeyLNZQGAIBPRLPNX-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.26
Rot. Bonds8

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 32579219) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID32579219
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1
InChIInChI=1S/C22H21N5O3S/c1-3-27-13-24-26-21(27)15-5-4-6-17(9-15)25-22(28)16-7-8-19(20(10-16)29-2)30-11-18-12-31-14-23-18/h4-10,12-14H,3,11H2,1-2H3,(H,25,28)
InChIKeyLNZQGAIBPRLPNX-UHFFFAOYSA-N
XLogP4.26
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
N-[3-[(dimethylamino)methyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86932113
3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
CID 29088076
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577038
N-[6-(diethylamino)-3-pyridinyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55784199
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-methoxy-5-nitrobenzamide
CID 32574914

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 32579219) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is CCn1cnnc1-c1cccc(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is LNZQGAIBPRLPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-3-27-13-24-26-21(27)15-5-4-6-17(9-15)25-22(28)16-7-8-19(20(10-16)29-2)30-11-18-12-31-14-23-18/h4-10,12-14H,3,11H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 435.51 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 32579219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).