4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

C18H24N2O2S — CID 36696227

IUPAC4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccc(OCCC(C)C)cc2)cs1
InChIInChI=1S/C18H24N2O2S/c1-13(2)9-11-22-17-6-4-15(5-7-17)18(21)19-10-8-16-12-23-14(3)20-16/h4-7,12-13H,8-11H2,1-3H3,(H,19,21)
InChIKeyXRKJBCGYDNJSHL-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.85
Rot. Bonds8

About 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 36696227) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID36696227
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccc(OCCC(C)C)cc2)cs1
InChIInChI=1S/C18H24N2O2S/c1-13(2)9-11-22-17-6-4-15(5-7-17)18(21)19-10-8-16-12-23-14(3)20-16/h4-7,12-13H,8-11H2,1-3H3,(H,19,21)
InChIKeyXRKJBCGYDNJSHL-UHFFFAOYSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-propoxybenzamide
CID 35341843
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35180836
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
CID 119507309
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2-phenoxyethyl)benzamide
CID 134024182
(2R)-2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263616
4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7522067
4-fluoro-N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4-oxobutyl]benzamide
CID 47070792
2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 6944071
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
CID 49374963
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 36696227) is 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2ccc(OCCC(C)C)cc2)cs1.
What is the InChIKey of 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is XRKJBCGYDNJSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13(2)9-11-22-17-6-4-15(5-7-17)18(21)19-10-8-16-12-23-14(3)20-16/h4-7,12-13H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 332.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 36696227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).