2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide

C19H21IN2O2S — CID 1211083

IUPAC2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccccc1SCC(=O)Nc1ccc(I)cc1C(C)C
InChIInChI=1S/C19H21IN2O2S/c1-12(2)15-10-14(20)8-9-16(15)22-19(24)11-25-18-7-5-4-6-17(18)21-13(3)23/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWFPITFIXRDQKRU-UHFFFAOYSA-N
MW468.36 g/mol
LogP5.10
Rot. Bonds6

About 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide

2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide (PubChem CID 1211083) has the molecular formula C19H21IN2O2S and a molecular weight of 468.36 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide
PubChem CID1211083
Molecular FormulaC19H21IN2O2S
Molecular Weight468.36 g/mol
Exact Mass468.04
IUPAC Name2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccccc1SCC(=O)Nc1ccc(I)cc1C(C)C
InChIInChI=1S/C19H21IN2O2S/c1-12(2)15-10-14(20)8-9-16(15)22-19(24)11-25-18-7-5-4-6-17(18)21-13(3)23/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWFPITFIXRDQKRU-UHFFFAOYSA-N
XLogP5.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.36
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-propan-2-ylphenyl)acetamide
CID 2201063
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-propan-2-ylphenyl)acetamide
CID 126014411
N-[(1S)-2-hydroxy-1-[5-[2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 1248462
N-[(1R)-1-[5-[2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide
CID 1314652
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
N-(4-iodo-2-propan-2-ylphenyl)-2-(2-methylphenoxy)acetamide
CID 1018410
2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-propan-2-ylphenyl)acetamide
CID 126066754
2-[[4-ethyl-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-propan-2-ylphenyl)acetamide
CID 2233377
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
2-chloro-N-[(1R)-1-[4-ethyl-5-[2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 126350974

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide (CID 1211083) is 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide is CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(I)cc1C(C)C.
What is the InChIKey of 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide?
The InChIKey is WFPITFIXRDQKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O2S/c1-12(2)15-10-14(20)8-9-16(15)22-19(24)11-25-18-7-5-4-6-17(18)21-13(3)23/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide?
2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide has a molecular weight of 468.36 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)sulfanyl-N-(4-iodo-2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1211083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).