2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide

C17H27ClN2O5S — CID 30168127

IUPAC2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCCOC(C)C
InChIInChI=1S/C17H27ClN2O5S/c1-5-24-15-8-7-14(18)11-16(15)26(22,23)20(4)12-17(21)19-9-6-10-25-13(2)3/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,19,21)
InChIKeyLTJWCSWBXHMDNR-UHFFFAOYSA-N
MW406.93 g/mol
LogP2.29
Rot. Bonds11

About 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide

2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 30168127) has the molecular formula C17H27ClN2O5S and a molecular weight of 406.93 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID30168127
Molecular FormulaC17H27ClN2O5S
Molecular Weight406.93 g/mol
Exact Mass406.13
IUPAC Name2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCCOC(C)C
InChIInChI=1S/C17H27ClN2O5S/c1-5-24-15-8-7-14(18)11-16(15)26(22,23)20(4)12-17(21)19-9-6-10-25-13(2)3/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,19,21)
InChIKeyLTJWCSWBXHMDNR-UHFFFAOYSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.93
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)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

2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 30167910
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890415
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 30167908
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30168025
N-(4-bromo-2-fluorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168021
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126337667
N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168164
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 126393830
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide
CID 6493717
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 45372712
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide
CID 43890329

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide (CID 30168127) is 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide is CCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCCCOC(C)C.
What is the InChIKey of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is LTJWCSWBXHMDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O5S/c1-5-24-15-8-7-14(18)11-16(15)26(22,23)20(4)12-17(21)19-9-6-10-25-13(2)3/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,19,21).
What are the key properties of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 406.93 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 30168127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).