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

C16H28N4O3S — CID 113156119

IUPAC2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CN(c1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H28N4O3S/c1-18(2)12-6-11-17-16(21)13-20(24(5,22)23)15-9-7-14(8-10-15)19(3)4/h7-10H,6,11-13H2,1-5H3,(H,17,21)
InChIKeyWGIYZSHLDPJOFS-UHFFFAOYSA-N
MW356.49 g/mol
LogP0.59
Rot. Bonds9

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

2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113156119) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113156119
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CN(c1ccc(N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C16H28N4O3S/c1-18(2)12-6-11-17-16(21)13-20(24(5,22)23)15-9-7-14(8-10-15)19(3)4/h7-10H,6,11-13H2,1-5H3,(H,17,21)
InChIKeyWGIYZSHLDPJOFS-UHFFFAOYSA-N
XLogP0.59
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.59
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-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 2262311
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-prop-2-enylacetamide
CID 113156103
N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-4-nitroanilino)acetamide
CID 22668771
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide
CID 113156112
N-[3-(dimethylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157744
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271860
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30219768
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide (CID 113156119) is 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)CN(c1ccc(N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is WGIYZSHLDPJOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-18(2)12-6-11-17-16(21)13-20(24(5,22)23)15-9-7-14(8-10-15)19(3)4/h7-10H,6,11-13H2,1-5H3,(H,17,21).
What are the key properties of 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide?
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 356.49 g/mol, XLogP of 0.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113156119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).