N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide

C15H12ClNO2S — CID 114863624

IUPACN-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(Cl)cc2C=O)cc1
InChIInChI=1S/C15H12ClNO2S/c1-10(19)17-13-3-5-14(6-4-13)20-15-7-2-12(16)8-11(15)9-18/h2-9H,1H3,(H,17,19)
InChIKeyCGXXKDOIEIKGQE-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.26
Rot. Bonds4

About N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide

N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide (PubChem CID 114863624) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide
PubChem CID114863624
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC NameN-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(Cl)cc2C=O)cc1
InChIInChI=1S/C15H12ClNO2S/c1-10(19)17-13-3-5-14(6-4-13)20-15-7-2-12(16)8-11(15)9-18/h2-9H,1H3,(H,17,19)
InChIKeyCGXXKDOIEIKGQE-UHFFFAOYSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde
CID 18668911
5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde
CID 114863766
2-(4-acetamidophenyl)sulfanyl-5-methylbenzoic acid
CID 62510654
N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
CID 80947124
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide
CID 113403944
N-[4-(6-chloropyrazin-2-yl)sulfanylphenyl]acetamide
CID 43213387
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
CID 51235628
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80893591
2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55325957

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide (CID 114863624) is N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ccc(Cl)cc2C=O)cc1.
What is the InChIKey of N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide?
The InChIKey is CGXXKDOIEIKGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-10(19)17-13-3-5-14(6-4-13)20-15-7-2-12(16)8-11(15)9-18/h2-9H,1H3,(H,17,19).
What are the key properties of N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide?
N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide has a molecular weight of 305.79 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-2-formylphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 114863624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).