N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

C20H22N2O2S2 — CID 55777758

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(OCc2cscn2)c1)c1cccs1
InChIInChI=1S/C20H22N2O2S2/c1-20(2,3)18(17-8-5-9-26-17)22-19(23)14-6-4-7-16(10-14)24-11-15-12-25-13-21-15/h4-10,12-13,18H,11H2,1-3H3,(H,22,23)
InChIKeyNHJIZPSWOYCIGY-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.30
Rot. Bonds6

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55777758) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55777758
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(OCc2cscn2)c1)c1cccs1
InChIInChI=1S/C20H22N2O2S2/c1-20(2,3)18(17-8-5-9-26-17)22-19(23)14-6-4-7-16(10-14)24-11-15-12-25-13-21-15/h4-10,12-13,18H,11H2,1-3H3,(H,22,23)
InChIKeyNHJIZPSWOYCIGY-UHFFFAOYSA-N
XLogP5.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24682427
N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 95770520
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
N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 86912306
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 92519851
[4-(thiophene-2-carbonylamino)phenyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 34806518
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27286247
tert-butyl N-[2-fluoro-5-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]carbamate
CID 55768238

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55777758) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is CC(C)(C)C(NC(=O)c1cccc(OCc2cscn2)c1)c1cccs1.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is NHJIZPSWOYCIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-20(2,3)18(17-8-5-9-26-17)22-19(23)14-6-4-7-16(10-14)24-11-15-12-25-13-21-15/h4-10,12-13,18H,11H2,1-3H3,(H,22,23).
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 386.54 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55777758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).