N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

C14H16N4O3S — CID 18277389

IUPACN-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1cccc(-n2ccnc2SCCC(=O)NC(N)=O)c1
InChIInChI=1S/C14H16N4O3S/c1-21-11-4-2-3-10(9-11)18-7-6-16-14(18)22-8-5-12(19)17-13(15)20/h2-4,6-7,9H,5,8H2,1H3,(H3,15,17,19,20)
InChIKeyFJHUHOXLELESSL-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.56
Rot. Bonds6

About N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 18277389) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID18277389
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1cccc(-n2ccnc2SCCC(=O)NC(N)=O)c1
InChIInChI=1S/C14H16N4O3S/c1-21-11-4-2-3-10(9-11)18-7-6-16-14(18)22-8-5-12(19)17-13(15)20/h2-4,6-7,9H,5,8H2,1H3,(H3,15,17,19,20)
InChIKeyFJHUHOXLELESSL-UHFFFAOYSA-N
XLogP1.56
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(dicyclopropylmethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 32674724
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587
5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide
CID 39908176
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
CID 18164735
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306584
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4092411
2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole
CID 75388165
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide
CID 41472991
1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone
CID 46677149
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 55883837

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (CID 18277389) is N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is COc1cccc(-n2ccnc2SCCC(=O)NC(N)=O)c1.
What is the InChIKey of N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is FJHUHOXLELESSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-21-11-4-2-3-10(9-11)18-7-6-16-14(18)22-8-5-12(19)17-13(15)20/h2-4,6-7,9H,5,8H2,1H3,(H3,15,17,19,20).
What are the key properties of N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 320.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 18277389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).