N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide

C19H23IN2O3S — CID 30268575

IUPACN-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C19H23IN2O3S/c1-13(2)16-7-5-6-8-18(16)22(26(4,24)25)12-19(23)21-17-10-9-15(20)11-14(17)3/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeyHACZMWPSUAIZIN-UHFFFAOYSA-N
MW486.38 g/mol
LogP4.13
Rot. Bonds6

About N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide

N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide (PubChem CID 30268575) has the molecular formula C19H23IN2O3S and a molecular weight of 486.38 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
PubChem CID30268575
Molecular FormulaC19H23IN2O3S
Molecular Weight486.38 g/mol
Exact Mass486.05
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C19H23IN2O3S/c1-13(2)16-7-5-6-8-18(16)22(26(4,24)25)12-19(23)21-17-10-9-15(20)11-14(17)3/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeyHACZMWPSUAIZIN-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 54.13
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

N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 982515
N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 3554676
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30258400
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1210644
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893712
N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
CID 43899854

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide (CID 30268575) is N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide is Cc1cc(I)ccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
The InChIKey is HACZMWPSUAIZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN2O3S/c1-13(2)16-7-5-6-8-18(16)22(26(4,24)25)12-19(23)21-17-10-9-15(20)11-14(17)3/h5-11,13H,12H2,1-4H3,(H,21,23).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide has a molecular weight of 486.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 30268575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).