2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide

C11H23ClN2O4S — CID 116815328

IUPAC2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)S(=O)(=O)CCCCCl
InChIInChI=1S/C11H23ClN2O4S/c1-13(2)11(15)10-14(7-8-18-3)19(16,17)9-5-4-6-12/h4-10H2,1-3H3
InChIKeyQPYXBHOXIIQWBL-UHFFFAOYSA-N
MW314.84 g/mol
LogP0.37
Rot. Bonds10

About 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide

2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide (PubChem CID 116815328) has the molecular formula C11H23ClN2O4S and a molecular weight of 314.84 g/mol. Its IUPAC name is 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
PubChem CID116815328
Molecular FormulaC11H23ClN2O4S
Molecular Weight314.84 g/mol
Exact Mass314.11
IUPAC Name2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)S(=O)(=O)CCCCCl
InChIInChI=1S/C11H23ClN2O4S/c1-13(2)11(15)10-14(7-8-18-3)19(16,17)9-5-4-6-12/h4-10H2,1-3H3
InChIKeyQPYXBHOXIIQWBL-UHFFFAOYSA-N
XLogP0.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)propane-1-sulfonamide
CID 54877226
2-[2-(dimethylamino)ethyl-(3-methoxypropylsulfonyl)amino]acetic acid
CID 103862479
2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
CID 63246102
5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
CID 61040707
methyl 2-[3-chloropropylsulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956977
2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
CID 54877062
2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide
CID 116815382
N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
CID 63287729
2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 63980022
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
2-[ethyl(propylsulfonyl)amino]-N,N-dimethylacetamide
CID 61383856
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389

Frequently Asked Questions

What is the IUPAC name of 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide (CID 116815328) is 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide is COCCN(CC(=O)N(C)C)S(=O)(=O)CCCCCl.
What is the InChIKey of 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The InChIKey is QPYXBHOXIIQWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O4S/c1-13(2)11(15)10-14(7-8-18-3)19(16,17)9-5-4-6-12/h4-10H2,1-3H3.
What are the key properties of 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide?
2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide has a molecular weight of 314.84 g/mol, XLogP of 0.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chlorobutylsulfonyl(2-methoxyethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 116815328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).