2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide

C23H23IN2O3S — CID 43876173

IUPAC2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1C(NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C23H23IN2O3S/c1-17-8-6-7-11-21(17)23(18-9-4-3-5-10-18)25-22(27)16-26(30(2,28)29)20-14-12-19(24)13-15-20/h3-15,23H,16H2,1-2H3,(H,25,27)
InChIKeyIHOGCBGEQHUOLG-UHFFFAOYSA-N
MW534.42 g/mol
LogP4.27
Rot. Bonds7

About 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide

2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 43876173) has the molecular formula C23H23IN2O3S and a molecular weight of 534.42 g/mol. Its IUPAC name is 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID43876173
Molecular FormulaC23H23IN2O3S
Molecular Weight534.42 g/mol
Exact Mass534.05
IUPAC Name2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1C(NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C23H23IN2O3S/c1-17-8-6-7-11-21(17)23(18-9-4-3-5-10-18)25-22(27)16-26(30(2,28)29)20-14-12-19(24)13-15-20/h3-15,23H,16H2,1-2H3,(H,25,27)
InChIKeyIHOGCBGEQHUOLG-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92678174
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28576245
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43876677
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99957493
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303863
N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885253
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94863984
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94027144
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30304449

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide (CID 43876173) is 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide is Cc1ccccc1C(NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is IHOGCBGEQHUOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23IN2O3S/c1-17-8-6-7-11-21(17)23(18-9-4-3-5-10-18)25-22(27)16-26(30(2,28)29)20-14-12-19(24)13-15-20/h3-15,23H,16H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide?
2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 534.42 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 43876173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).