N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide

C13H16Cl2N2O2S — CID 8787419

IUPACN-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2S/c1-2-3-6-16-13(19)17-12(18)8-20-11-7-9(14)4-5-10(11)15/h4-5,7H,2-3,6,8H2,1H3,(H2,16,17,18,19)
InChIKeyGJXYERPSQHSDPU-UHFFFAOYSA-N
MW335.26 g/mol
LogP3.71
Rot. Bonds6

About N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide

N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide (PubChem CID 8787419) has the molecular formula C13H16Cl2N2O2S and a molecular weight of 335.26 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
PubChem CID8787419
Molecular FormulaC13H16Cl2N2O2S
Molecular Weight335.26 g/mol
Exact Mass334.03
IUPAC NameN-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2S/c1-2-3-6-16-13(19)17-12(18)8-20-11-7-9(14)4-5-10(11)15/h4-5,7H,2-3,6,8H2,1H3,(H2,16,17,18,19)
InChIKeyGJXYERPSQHSDPU-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 5155672
N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 8789742
N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8787700
N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 86799348
(2S)-2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]hexanoic acid
CID 107144440
2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 43305347
N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590290
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 83029637
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27640774
2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide
CID 115628169
N-(butylcarbamoyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 27361380

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide (CID 8787419) is N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide is CCCCNC(=O)NC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
The InChIKey is GJXYERPSQHSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2S/c1-2-3-6-16-13(19)17-12(18)8-20-11-7-9(14)4-5-10(11)15/h4-5,7H,2-3,6,8H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide has a molecular weight of 335.26 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide is sourced from PubChem (CID 8787419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).