N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

C15H25N3O4S — CID 113149554

IUPACN-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-17(2)14-8-6-13(7-9-14)16-15(19)12-18(23(4,20)21)10-5-11-22-3/h6-9H,5,10-12H2,1-4H3,(H,16,19)
InChIKeyRRUUVLAAXDFEQA-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.99
Rot. Bonds9

About N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide

N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (PubChem CID 113149554) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
PubChem CID113149554
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-17(2)14-8-6-13(7-9-14)16-15(19)12-18(23(4,20)21)10-5-11-22-3/h6-9H,5,10-12H2,1-4H3,(H,16,19)
InChIKeyRRUUVLAAXDFEQA-UHFFFAOYSA-N
XLogP0.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113149314
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149503
N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149526
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137885
N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136957
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide (CID 113149554) is N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is COCCCN(CC(=O)Nc1ccc(N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
The InChIKey is RRUUVLAAXDFEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-17(2)14-8-6-13(7-9-14)16-15(19)12-18(23(4,20)21)10-5-11-22-3/h6-9H,5,10-12H2,1-4H3,(H,16,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide?
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide has a molecular weight of 343.45 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113149554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).