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

C14H23N3O3S — CID 112991641

IUPACN-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)NCCCN(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-12-6-4-7-13(10-12)21(19,20)16-11-14(18)15-8-5-9-17(2)3/h4,6-7,10,16H,5,8-9,11H2,1-3H3,(H,15,18)
InChIKeyUHEUCBSMRFJCKR-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.34
Rot. Bonds8

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

N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide (PubChem CID 112991641) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide
PubChem CID112991641
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)NCCCN(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-12-6-4-7-13(10-12)21(19,20)16-11-14(18)15-8-5-9-17(2)3/h4,6-7,10,16H,5,8-9,11H2,1-3H3,(H,15,18)
InChIKeyUHEUCBSMRFJCKR-UHFFFAOYSA-N
XLogP0.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 112991642
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 112991633
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112991615
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112996585
2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991491
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
N-[2-(dimethylamino)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112991494
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 112991498
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide (CID 112991641) is N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide is Cc1cccc(S(=O)(=O)NCC(=O)NCCCN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide?
The InChIKey is UHEUCBSMRFJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12-6-4-7-13(10-12)21(19,20)16-11-14(18)15-8-5-9-17(2)3/h4,6-7,10,16H,5,8-9,11H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide?
N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide has a molecular weight of 313.42 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112991641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).