2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide

C14H15Cl2N3OS — CID 47061387

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3OS/c1-10(21-13-8-11(15)2-3-12(13)16)14(20)18-5-7-19-6-4-17-9-19/h2-4,6,8-10H,5,7H2,1H3,(H,18,20)
InChIKeyBSKVSSQWVSJXLR-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.49
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide

2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide (PubChem CID 47061387) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide
PubChem CID47061387
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NCCn1ccnc1
InChIInChI=1S/C14H15Cl2N3OS/c1-10(21-13-8-11(15)2-3-12(13)16)14(20)18-5-7-19-6-4-17-9-19/h2-4,6,8-10H,5,7H2,1H3,(H,18,20)
InChIKeyBSKVSSQWVSJXLR-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 47051274
2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119447334
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980923
N-(3-aminobutyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119497529
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830416
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 7870521
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
2-(2,5-dichlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610623
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838406
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide (CID 47061387) is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide is CC(Sc1cc(Cl)ccc1Cl)C(=O)NCCn1ccnc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide?
The InChIKey is BSKVSSQWVSJXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-10(21-13-8-11(15)2-3-12(13)16)14(20)18-5-7-19-6-4-17-9-19/h2-4,6,8-10H,5,7H2,1H3,(H,18,20).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide has a molecular weight of 344.27 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide is sourced from PubChem (CID 47061387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).