N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C20H19IN2O3S — CID 3554676

IUPACN-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C20H19IN2O3S/c1-14-12-16(21)10-11-18(14)22-20(24)13-23(27(2,25)26)19-9-5-7-15-6-3-4-8-17(15)19/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeySJPKYEKXNYFGGF-UHFFFAOYSA-N
MW494.35 g/mol
LogP4.16
Rot. Bonds5

About N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 3554676) has the molecular formula C20H19IN2O3S and a molecular weight of 494.35 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID3554676
Molecular FormulaC20H19IN2O3S
Molecular Weight494.35 g/mol
Exact Mass494.02
IUPAC NameN-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C20H19IN2O3S/c1-14-12-16(21)10-11-18(14)22-20(24)13-23(27(2,25)26)19-9-5-7-15-6-3-4-8-17(15)19/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeySJPKYEKXNYFGGF-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 54.16
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-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30268575
2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 982515
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 1317383
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
N-(2-fluorophenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 17312968
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1302977
N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1210644
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
CID 50895807
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 43899916
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 3554676) is N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is Cc1cc(I)ccc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is SJPKYEKXNYFGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19IN2O3S/c1-14-12-16(21)10-11-18(14)22-20(24)13-23(27(2,25)26)19-9-5-7-15-6-3-4-8-17(15)19/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 494.35 g/mol, XLogP of 4.16, 5 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-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 3554676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).