N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide

C11H11ClN4OS — CID 107779699

IUPACN-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CSc1ncc[nH]1
InChIInChI=1S/C11H11ClN4OS/c12-7-1-2-8(13)9(5-7)16-10(17)6-18-11-14-3-4-15-11/h1-5H,6,13H2,(H,14,15)(H,16,17)
InChIKeyBWKYRYUPHVWBJK-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.38
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide

N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide (PubChem CID 107779699) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
PubChem CID107779699
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CSc1ncc[nH]1
InChIInChI=1S/C11H11ClN4OS/c12-7-1-2-8(13)9(5-7)16-10(17)6-18-11-14-3-4-15-11/h1-5H,6,13H2,(H,14,15)(H,16,17)
InChIKeyBWKYRYUPHVWBJK-UHFFFAOYSA-N
XLogP2.38
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.38
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-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 67947834
N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 67947833
N-(2-aminophenyl)-4-(1H-imidazol-2-ylsulfanyl)butanamide
CID 107779663
N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62408208
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16790211
N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 107779905
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 43299833
N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 43612048
N-(2-amino-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanyl)propanamide
CID 107779657
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
4-chloro-2-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779420

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide (CID 107779699) is N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide is Nc1ccc(Cl)cc1NC(=O)CSc1ncc[nH]1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide?
The InChIKey is BWKYRYUPHVWBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c12-7-1-2-8(13)9(5-7)16-10(17)6-18-11-14-3-4-15-11/h1-5H,6,13H2,(H,14,15)(H,16,17).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide?
N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide has a molecular weight of 282.76 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 107779699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).