2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C20H27N3O3S — CID 3395199

IUPAC2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(CCC(C)C)C(=O)COCc2ccccc2)s1
InChIInChI=1S/C20H27N3O3S/c1-15(2)9-10-23(12-18(24)22-20-21-11-16(3)27-20)19(25)14-26-13-17-7-5-4-6-8-17/h4-8,11,15H,9-10,12-14H2,1-3H3,(H,21,22,24)
InChIKeyGFNKPBYRDCKSJB-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.48
Rot. Bonds10

About 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3395199) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3395199
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(CCC(C)C)C(=O)COCc2ccccc2)s1
InChIInChI=1S/C20H27N3O3S/c1-15(2)9-10-23(12-18(24)22-20-21-11-16(3)27-20)19(25)14-26-13-17-7-5-4-6-8-17/h4-8,11,15H,9-10,12-14H2,1-3H3,(H,21,22,24)
InChIKeyGFNKPBYRDCKSJB-UHFFFAOYSA-N
XLogP3.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4583830
2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768973
N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 5146409
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 4226699
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 813342
N-(2-methoxyethyl)-2-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663870
2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4052985
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42770884
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylbutanamide
CID 42770867
benzyl N-[(2S)-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]carbamate
CID 60616500
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
CID 4155792
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 3395199) is 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CN(CCC(C)C)C(=O)COCc2ccccc2)s1.
What is the InChIKey of 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GFNKPBYRDCKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)9-10-23(12-18(24)22-20-21-11-16(3)27-20)19(25)14-26-13-17-7-5-4-6-8-17/h4-8,11,15H,9-10,12-14H2,1-3H3,(H,21,22,24).
What are the key properties of 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 389.52 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3395199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).