2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide

C12H16ClN3O2S — CID 43305347

IUPAC2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1ccc(N)cc1Cl
InChIInChI=1S/C12H16ClN3O2S/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(14)6-9(10)13/h3-4,6H,2,5,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyGRRZDUHTPMJGLL-UHFFFAOYSA-N
MW301.80 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide

2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide (PubChem CID 43305347) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
PubChem CID43305347
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1ccc(N)cc1Cl
InChIInChI=1S/C12H16ClN3O2S/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(14)6-9(10)13/h3-4,6H,2,5,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyGRRZDUHTPMJGLL-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-2-(4-amino-2-chlorophenyl)sulfanylacetohydrazide
CID 43305113
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27640774
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 43305275
N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 8787419
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16514513
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43305339
2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43305259
3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 62324063
2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43238214
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 43305241

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide (CID 43305347) is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
The InChIKey is GRRZDUHTPMJGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(14)6-9(10)13/h3-4,6H,2,5,7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide?
2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide has a molecular weight of 301.80 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 43305347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).