3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide

C22H20N2O3S3 — CID 31842603

IUPAC3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)ccc1OCc1cscn1
InChIInChI=1S/C22H20N2O3S3/c1-26-21-10-16(6-7-20(21)27-13-17-14-28-15-23-17)22(25)24(11-18-4-2-8-29-18)12-19-5-3-9-30-19/h2-10,14-15H,11-13H2,1H3
InChIKeyCBTDFINXFRWJJE-UHFFFAOYSA-N
MW456.61 g/mol
LogP5.70
Rot. Bonds9

About 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide

3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 31842603) has the molecular formula C22H20N2O3S3 and a molecular weight of 456.61 g/mol. Its IUPAC name is 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID31842603
Molecular FormulaC22H20N2O3S3
Molecular Weight456.61 g/mol
Exact Mass456.06
IUPAC Name3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)ccc1OCc1cscn1
InChIInChI=1S/C22H20N2O3S3/c1-26-21-10-16(6-7-20(21)27-13-17-14-28-15-23-17)22(25)24(11-18-4-2-8-29-18)12-19-5-3-9-30-19/h2-10,14-15H,11-13H2,1H3
InChIKeyCBTDFINXFRWJJE-UHFFFAOYSA-N
XLogP5.70
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55582714
N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 134008525
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
N-cyclohexyl-N-ethyl-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134043401
N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32590507
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
N-[3-[(dimethylamino)methyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86932113
3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838372
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119444457
N-[2-(cyclohexylamino)-2-oxoethyl]-3,4-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 1153883

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 31842603) is 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide is COc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)ccc1OCc1cscn1.
What is the InChIKey of 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is CBTDFINXFRWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S3/c1-26-21-10-16(6-7-20(21)27-13-17-14-28-15-23-17)22(25)24(11-18-4-2-8-29-18)12-19-5-3-9-30-19/h2-10,14-15H,11-13H2,1H3.
What are the key properties of 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide?
3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 456.61 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31842603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).