2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide

C16H16N4O2S3 — CID 4823359

IUPAC2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1
InChIInChI=1S/C16H16N4O2S3/c1-2-17-15(22)18-12(21)9-25-16-19-13(10-5-3-7-23-10)14(20-16)11-6-4-8-24-11/h3-8H,2,9H2,1H3,(H,19,20)(H2,17,18,21,22)
InChIKeyNMJWODKNKGQSJT-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.80
Rot. Bonds6

About 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide

2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide (PubChem CID 4823359) has the molecular formula C16H16N4O2S3 and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
PubChem CID4823359
Molecular FormulaC16H16N4O2S3
Molecular Weight392.53 g/mol
Exact Mass392.04
IUPAC Name2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1
InChIInChI=1S/C16H16N4O2S3/c1-2-17-15(22)18-12(21)9-25-16-19-13(10-5-3-7-23-10)14(20-16)11-6-4-8-24-11/h3-8H,2,9H2,1H3,(H,19,20)(H2,17,18,21,22)
InChIKeyNMJWODKNKGQSJT-UHFFFAOYSA-N
XLogP3.80
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4827925
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 40517805
2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 4825068
N-[(2S)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40933678
(2S)-N-(cyclopropylcarbamoyl)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 25311321
(2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 25356354
(2R)-N-(4-acetamidophenyl)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 40933652
N-(thiophen-2-ylmethylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34787943
N-(3-ethoxypropylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7457441
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7857251
N-(ethylcarbamoyl)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17424434

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide (CID 4823359) is 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1.
What is the InChIKey of 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is NMJWODKNKGQSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S3/c1-2-17-15(22)18-12(21)9-25-16-19-13(10-5-3-7-23-10)14(20-16)11-6-4-8-24-11/h3-8H,2,9H2,1H3,(H,19,20)(H2,17,18,21,22).
What are the key properties of 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 392.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 4823359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).