2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide

C21H26Cl2N2O4S — CID 126393830

IUPAC2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26Cl2N2O4S/c1-16(2)29-12-6-11-24-21(26)15-25(14-17-9-10-18(22)13-20(17)23)30(27,28)19-7-4-3-5-8-19/h3-5,7-10,13,16H,6,11-12,14-15H2,1-2H3,(H,24,26)
InChIKeyPLAQKGXHGRGSOT-UHFFFAOYSA-N
MW473.42 g/mol
LogP4.12
Rot. Bonds11

About 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide

2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 126393830) has the molecular formula C21H26Cl2N2O4S and a molecular weight of 473.42 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID126393830
Molecular FormulaC21H26Cl2N2O4S
Molecular Weight473.42 g/mol
Exact Mass472.10
IUPAC Name2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26Cl2N2O4S/c1-16(2)29-12-6-11-24-21(26)15-25(14-17-9-10-18(22)13-20(17)23)30(27,28)19-7-4-3-5-8-19/h3-5,7-10,13,16H,6,11-12,14-15H2,1-2H3,(H,24,26)
InChIKeyPLAQKGXHGRGSOT-UHFFFAOYSA-N
XLogP4.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
CID 126394882
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126390921
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 126066942
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874460
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 126390259
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126321404
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 4202606
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 2283551
2-[benzyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126371916
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126209307
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1276390

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide (CID 126393830) is 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is PLAQKGXHGRGSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O4S/c1-16(2)29-12-6-11-24-21(26)15-25(14-17-9-10-18(22)13-20(17)23)30(27,28)19-7-4-3-5-8-19/h3-5,7-10,13,16H,6,11-12,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 473.42 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 126393830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).