N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

C19H21Cl3N2O4S — CID 30245383

IUPACN-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCC(C)Oc1cccc(CNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H21Cl3N2O4S/c1-12(2)28-14-6-4-5-13(7-14)10-23-19(25)11-24(29(3,26)27)18-9-16(21)15(20)8-17(18)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeyHZLNATKOAVEMOS-UHFFFAOYSA-N
MW479.81 g/mol
LogP4.52
Rot. Bonds8

About N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (PubChem CID 30245383) has the molecular formula C19H21Cl3N2O4S and a molecular weight of 479.81 g/mol. Its IUPAC name is N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
PubChem CID30245383
Molecular FormulaC19H21Cl3N2O4S
Molecular Weight479.81 g/mol
Exact Mass478.03
IUPAC NameN-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCC(C)Oc1cccc(CNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H21Cl3N2O4S/c1-12(2)28-14-6-4-5-13(7-14)10-23-19(25)11-24(29(3,26)27)18-9-16(21)15(20)8-17(18)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeyHZLNATKOAVEMOS-UHFFFAOYSA-N
XLogP4.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-propan-2-yloxyphenyl)propyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30245426
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30222547
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30219413
N-[3-(3-methoxyphenyl)propyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30245413
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286851
4-(2-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288065
2-(2-methoxy-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46772898
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 53279484
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30202878
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 126415640
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53282002
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (CID 30245383) is N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is CC(C)Oc1cccc(CNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is HZLNATKOAVEMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl3N2O4S/c1-12(2)28-14-6-4-5-13(7-14)10-23-19(25)11-24(29(3,26)27)18-9-16(21)15(20)8-17(18)22/h4-9,12H,10-11H2,1-3H3,(H,23,25).
What are the key properties of N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 479.81 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30245383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).