N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C22H18N2O2S2 — CID 24682427

IUPACN-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NC(c1ccccc1)c1cccs1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C22H18N2O2S2/c25-22(17-8-4-9-19(12-17)26-13-18-14-27-15-23-18)24-21(20-10-5-11-28-20)16-6-2-1-3-7-16/h1-12,14-15,21H,13H2,(H,24,25)
InChIKeyAYAHLXJBTVUBJZ-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.30
Rot. Bonds7

About N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 24682427) has the molecular formula C22H18N2O2S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID24682427
Molecular FormulaC22H18N2O2S2
Molecular Weight406.53 g/mol
Exact Mass406.08
IUPAC NameN-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NC(c1ccccc1)c1cccs1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C22H18N2O2S2/c25-22(17-8-4-9-19(12-17)26-13-18-14-27-15-23-18)24-21(20-10-5-11-28-20)16-6-2-1-3-7-16/h1-12,14-15,21H,13H2,(H,24,25)
InChIKeyAYAHLXJBTVUBJZ-UHFFFAOYSA-N
XLogP5.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 92519851
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55777758
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
3-phenylmethoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 60521820
N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 86912306
N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 95770520
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-phenylmethoxybenzamide
CID 25390282
[4-(thiophene-2-carbonylamino)phenyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 34806518
1-[phenyl(pyridin-2-yl)methyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567735

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 24682427) is N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(NC(c1ccccc1)c1cccs1)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is AYAHLXJBTVUBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S2/c25-22(17-8-4-9-19(12-17)26-13-18-14-27-15-23-18)24-21(20-10-5-11-28-20)16-6-2-1-3-7-16/h1-12,14-15,21H,13H2,(H,24,25).
What are the key properties of N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 406.53 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 24682427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).