2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide

C15H25N3O4S — CID 119745719

IUPAC2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)CNCCOC)c1C
InChIInChI=1S/C15H25N3O4S/c1-4-10-23(20,21)18-14-7-5-6-13(12(14)2)17-15(19)11-16-8-9-22-3/h5-7,16,18H,4,8-11H2,1-3H3,(H,17,19)
InChIKeyCLDVLRXUUYUJCS-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.32
Rot. Bonds10

About 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide

2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide (PubChem CID 119745719) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
PubChem CID119745719
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)CNCCOC)c1C
InChIInChI=1S/C15H25N3O4S/c1-4-10-23(20,21)18-14-7-5-6-13(12(14)2)17-15(19)11-16-8-9-22-3/h5-7,16,18H,4,8-11H2,1-3H3,(H,17,19)
InChIKeyCLDVLRXUUYUJCS-UHFFFAOYSA-N
XLogP1.32
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[3-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119795017
2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119754250
methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate
CID 48541505
4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
CID 119301626
tert-butyl N-[3-[2-methyl-3-(propylsulfonylamino)anilino]-3-oxopropyl]carbamate
CID 48541913
2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 47078779
2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
CID 72685990
7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
CID 119745689
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide
CID 48541773
2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769186
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide (CID 119745719) is 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide is CCCS(=O)(=O)Nc1cccc(NC(=O)CNCCOC)c1C.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The InChIKey is CLDVLRXUUYUJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-4-10-23(20,21)18-14-7-5-6-13(12(14)2)17-15(19)11-16-8-9-22-3/h5-7,16,18H,4,8-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 1.32, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 119745719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).