N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

C16H27N3O4S — CID 2262311

IUPACN-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H27N3O4S/c1-5-23-15-9-7-14(8-10-15)19(24(4,21)22)13-16(20)17-11-6-12-18(2)3/h7-10H,5-6,11-13H2,1-4H3,(H,17,20)
InChIKeyHMWJLJXNSZGNBB-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.92
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 2262311) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID2262311
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H27N3O4S/c1-5-23-15-9-7-14(8-10-15)19(24(4,21)22)13-16(20)17-11-6-12-18(2)3/h7-10H,5-6,11-13H2,1-4H3,(H,17,20)
InChIKeyHMWJLJXNSZGNBB-UHFFFAOYSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide
CID 113156119
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393
N-[3-(2-chlorophenyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220391
N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30268815
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 30220425
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 654680
2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
N-[3-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30277544

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (CID 2262311) is N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccc(N(CC(=O)NCCCN(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is HMWJLJXNSZGNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-5-23-15-9-7-14(8-10-15)19(24(4,21)22)13-16(20)17-11-6-12-18(2)3/h7-10H,5-6,11-13H2,1-4H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 357.48 g/mol, XLogP of 0.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2262311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).