N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

C14H23N3O4S — CID 112991615

IUPACN-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C14H23N3O4S/c1-17(2)10-4-9-15-14(18)11-16-22(19,20)13-7-5-12(21-3)6-8-13/h5-8,16H,4,9-11H2,1-3H3,(H,15,18)
InChIKeyPYKBMOLIVSDQIF-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.04
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 112991615) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID112991615
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C14H23N3O4S/c1-17(2)10-4-9-15-14(18)11-16-22(19,20)13-7-5-12(21-3)6-8-13/h5-8,16H,4,9-11H2,1-3H3,(H,15,18)
InChIKeyPYKBMOLIVSDQIF-UHFFFAOYSA-N
XLogP0.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113053818
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 112994890
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 112991642
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485
N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112991641
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 112991633
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 4781268
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30271846

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (CID 112991615) is N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is PYKBMOLIVSDQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-17(2)10-4-9-15-14(18)11-16-22(19,20)13-7-5-12(21-3)6-8-13/h5-8,16H,4,9-11H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 329.42 g/mol, XLogP of 0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112991615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).