3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide

C22H24N4O3S — CID 41472991

IUPAC3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)N(CCC(N)=O)Cc2ccccc2)c1
InChIInChI=1S/C22H24N4O3S/c1-29-19-9-5-8-18(14-19)26-13-11-24-22(26)30-16-21(28)25(12-10-20(23)27)15-17-6-3-2-4-7-17/h2-9,11,13-14H,10,12,15-16H2,1H3,(H2,23,27)
InChIKeyAGARWCQFKSNOAH-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.88
Rot. Bonds10

About 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide

3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide (PubChem CID 41472991) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide
PubChem CID41472991
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)N(CCC(N)=O)Cc2ccccc2)c1
InChIInChI=1S/C22H24N4O3S/c1-29-19-9-5-8-18(14-19)26-13-11-24-22(26)30-16-21(28)25(12-10-20(23)27)15-17-6-3-2-4-7-17/h2-9,11,13-14H,10,12,15-16H2,1H3,(H2,23,27)
InChIKeyAGARWCQFKSNOAH-UHFFFAOYSA-N
XLogP2.88
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
CID 18164735
3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
CID 27320070
N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18277389
5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide
CID 39908176
3-[benzyl-[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide
CID 51287610
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4092411
N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide
CID 78854657
N,N-dibenzyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2365711
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306584
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587
3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide
CID 41165036

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide (CID 41472991) is 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide is COc1cccc(-n2ccnc2SCC(=O)N(CCC(N)=O)Cc2ccccc2)c1.
What is the InChIKey of 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide?
The InChIKey is AGARWCQFKSNOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-29-19-9-5-8-18(14-19)26-13-11-24-22(26)30-16-21(28)25(12-10-20(23)27)15-17-6-3-2-4-7-17/h2-9,11,13-14H,10,12,15-16H2,1H3,(H2,23,27).
What are the key properties of 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide?
3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide has a molecular weight of 424.53 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide is sourced from PubChem (CID 41472991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).