5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide

C20H19N5O4S — CID 39908176

IUPAC5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1
InChIInChI=1S/C20H19N5O4S/c1-29-16-4-2-3-15(10-16)25-6-5-23-20(25)30-11-17(26)24-14-8-12(18(21)27)7-13(9-14)19(22)28/h2-10H,11H2,1H3,(H2,21,27)(H2,22,28)(H,24,26)
InChIKeyYITBSQRZHXQHFC-UHFFFAOYSA-N
MW425.47 g/mol
LogP1.81
Rot. Bonds8

About 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide

5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide (PubChem CID 39908176) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide
PubChem CID39908176
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC Name5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1
InChIInChI=1S/C20H19N5O4S/c1-29-16-4-2-3-15(10-16)25-6-5-23-20(25)30-11-17(26)24-14-8-12(18(21)27)7-13(9-14)19(22)28/h2-10H,11H2,1H3,(H2,21,27)(H2,22,28)(H,24,26)
InChIKeyYITBSQRZHXQHFC-UHFFFAOYSA-N
XLogP1.81
TPSA142.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
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
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
CID 18164735
N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18277389
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5223295
N-(dicyclopropylmethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 32674724
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306584
5-[[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxamide
CID 2563699

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide (CID 39908176) is 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide is COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1.
What is the InChIKey of 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is YITBSQRZHXQHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-29-16-4-2-3-15(10-16)25-6-5-23-20(25)30-11-17(26)24-14-8-12(18(21)27)7-13(9-14)19(22)28/h2-10H,11H2,1H3,(H2,21,27)(H2,22,28)(H,24,26).
What are the key properties of 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide?
5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 425.47 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 39908176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).