2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide

C22H17N3O2S — CID 12840972

IUPAC2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide
SMILESO=C(CSc1c2ccccc2nc2ccccc12)NC(=O)Nc1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(25-22(27)23-15-8-2-1-3-9-15)14-28-21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2,(H2,23,25,26,27)
InChIKeyBTHGHRCXIWMODU-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.83
Rot. Bonds4

About 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide

2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide (PubChem CID 12840972) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide
PubChem CID12840972
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide
SMILESO=C(CSc1c2ccccc2nc2ccccc12)NC(=O)Nc1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(25-22(27)23-15-8-2-1-3-9-15)14-28-21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2,(H2,23,25,26,27)
InChIKeyBTHGHRCXIWMODU-UHFFFAOYSA-N
XLogP4.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 46645921
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CID 9385041
N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 118418605
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
CID 118418598
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 94806128
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323049
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16500021
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16511040
1-[4-(acridin-9-ylamino)phenyl]-3-phenylurea;hydron;chloride
CID 50987018

Frequently Asked Questions

What is the IUPAC name of 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide (CID 12840972) is 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide is O=C(CSc1c2ccccc2nc2ccccc12)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide?
The InChIKey is BTHGHRCXIWMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-20(25-22(27)23-15-8-2-1-3-9-15)14-28-21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2,(H2,23,25,26,27).
What are the key properties of 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide?
2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-9-ylsulfanyl-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 12840972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).