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

C19H25N3O2S2 — CID 4583830

IUPAC2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(CCC(C)C)C(=O)CSc2ccccc2)s1
InChIInChI=1S/C19H25N3O2S2/c1-14(2)9-10-22(12-17(23)21-19-20-11-15(3)26-19)18(24)13-25-16-7-5-4-6-8-16/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,20,21,23)
InChIKeyREEKINFFCKSHHY-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.06
Rot. Bonds9

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

2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4583830) has the molecular formula C19H25N3O2S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4583830
Molecular FormulaC19H25N3O2S2
Molecular Weight391.56 g/mol
Exact Mass391.14
IUPAC Name2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN(CCC(C)C)C(=O)CSc2ccccc2)s1
InChIInChI=1S/C19H25N3O2S2/c1-14(2)9-10-22(12-17(23)21-19-20-11-15(3)26-19)18(24)13-25-16-7-5-4-6-8-16/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,20,21,23)
InChIKeyREEKINFFCKSHHY-UHFFFAOYSA-N
XLogP4.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3395199
N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 5146409
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 813342
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylbutanamide
CID 42770867
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42770884
2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4638772
N-(2-methoxyethyl)-2-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663870
(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 9451642
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4846392
2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylnaphthalene-2-carboxamide
CID 4987057
2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 5079917

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 4583830) is 2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CN(CCC(C)C)C(=O)CSc2ccccc2)s1.
What is the InChIKey of 2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is REEKINFFCKSHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c1-14(2)9-10-22(12-17(23)21-19-20-11-15(3)26-19)18(24)13-25-16-7-5-4-6-8-16/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,20,21,23).
What are the key properties of 2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 391.56 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4583830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).