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

C23H20N2O3S2 — CID 134008525

IUPACN-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(OCc3cscn3)cc2)cc1
InChIInChI=1S/C23H20N2O3S2/c1-27-20-10-6-19(7-11-20)25(13-22-3-2-12-30-22)23(26)17-4-8-21(9-5-17)28-14-18-15-29-16-24-18/h2-12,15-16H,13-14H2,1H3
InChIKeyVCAVTZDOUZIFMQ-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.64
Rot. Bonds8

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

N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 134008525) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID134008525
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC NameN-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(OCc3cscn3)cc2)cc1
InChIInChI=1S/C23H20N2O3S2/c1-27-20-10-6-19(7-11-20)25(13-22-3-2-12-30-22)23(26)17-4-8-21(9-5-17)28-14-18-15-29-16-24-18/h2-12,15-16H,13-14H2,1H3
InChIKeyVCAVTZDOUZIFMQ-UHFFFAOYSA-N
XLogP5.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842603
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
6-(2,6-dimethylmorpholin-4-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 112822032
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17014002
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288
2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
CID 8005655
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 55383347
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17013553
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 55966655
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide (CID 134008525) is N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(N(Cc2cccs2)C(=O)c2ccc(OCc3cscn3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VCAVTZDOUZIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c1-27-20-10-6-19(7-11-20)25(13-22-3-2-12-30-22)23(26)17-4-8-21(9-5-17)28-14-18-15-29-16-24-18/h2-12,15-16H,13-14H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide?
N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 436.56 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 134008525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).