2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide

C20H28N4O2S — CID 18131175

IUPAC2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1nccn1-c1ccc(C)cc1C
InChIInChI=1S/C20H28N4O2S/c1-6-23(12-18(25)22-14(2)3)19(26)13-27-20-21-9-10-24(20)17-8-7-15(4)11-16(17)5/h7-11,14H,6,12-13H2,1-5H3,(H,22,25)
InChIKeyAQRJRZRZMKDGHB-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.95
Rot. Bonds8

About 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide

2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 18131175) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID18131175
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1nccn1-c1ccc(C)cc1C
InChIInChI=1S/C20H28N4O2S/c1-6-23(12-18(25)22-14(2)3)19(26)13-27-20-21-9-10-24(20)17-8-7-15(4)11-16(17)5/h7-11,14H,6,12-13H2,1-5H3,(H,22,25)
InChIKeyAQRJRZRZMKDGHB-UHFFFAOYSA-N
XLogP2.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide (CID 18131175) is 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CSc1nccn1-c1ccc(C)cc1C.
What is the InChIKey of 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is AQRJRZRZMKDGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-6-23(12-18(25)22-14(2)3)19(26)13-27-20-21-9-10-24(20)17-8-7-15(4)11-16(17)5/h7-11,14H,6,12-13H2,1-5H3,(H,22,25).
What are the key properties of 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide?
2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 388.54 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 18131175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).