2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide

C19H17IN4O2S — CID 55519361

IUPAC2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide
SMILESCn1ccnc1Sc1ccc(NC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C19H17IN4O2S/c1-24-11-10-21-19(24)27-14-8-6-13(7-9-14)23-17(25)12-22-18(26)15-4-2-3-5-16(15)20/h2-11H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyZTEXRWKUKHIGOR-UHFFFAOYSA-N
MW492.34 g/mol
LogP3.54
Rot. Bonds6

About 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide

2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide (PubChem CID 55519361) has the molecular formula C19H17IN4O2S and a molecular weight of 492.34 g/mol. Its IUPAC name is 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide
PubChem CID55519361
Molecular FormulaC19H17IN4O2S
Molecular Weight492.34 g/mol
Exact Mass492.01
IUPAC Name2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide
SMILESCn1ccnc1Sc1ccc(NC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C19H17IN4O2S/c1-24-11-10-21-19(24)27-14-8-6-13(7-9-14)23-17(25)12-22-18(26)15-4-2-3-5-16(15)20/h2-11H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyZTEXRWKUKHIGOR-UHFFFAOYSA-N
XLogP3.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001
2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 51297425
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55497406
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134043238
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
CID 120587660
2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 35014699
2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide
CID 30267909
5-ethyl-4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]thiophene-2-carboxamide
CID 55491048
N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide
CID 100723086

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide (CID 55519361) is 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide is Cn1ccnc1Sc1ccc(NC(=O)CNC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide?
The InChIKey is ZTEXRWKUKHIGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN4O2S/c1-24-11-10-21-19(24)27-14-8-6-13(7-9-14)23-17(25)12-22-18(26)15-4-2-3-5-16(15)20/h2-11H,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide?
2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide has a molecular weight of 492.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55519361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).