2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide

C16H25ClN2O3S — CID 17225153

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O3S/c1-3-19(4-2)11-5-10-18-16(20)13-23(21,22)12-14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyCEXAMJNXMAINJI-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.10
Rot. Bonds10

About 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide

2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide (PubChem CID 17225153) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide
PubChem CID17225153
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide
SMILESCCN(CC)CCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O3S/c1-3-19(4-2)11-5-10-18-16(20)13-23(21,22)12-14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyCEXAMJNXMAINJI-UHFFFAOYSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.10
H-Bond Donors ≤ 51
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-chlorophenyl)methylsulfonyl]-N-ethylacetamide
CID 17225149
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
N-butyl-2-[(3-chlorophenyl)methylsulfonyl]acetamide
CID 47155845
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
2-benzylsulfonyl-N-propylacetamide
CID 47155800
2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86926221
N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207530
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
CID 24654937

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide (CID 17225153) is 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide is CCN(CC)CCCNC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide?
The InChIKey is CEXAMJNXMAINJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-3-19(4-2)11-5-10-18-16(20)13-23(21,22)12-14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide?
2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide has a molecular weight of 360.91 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide is sourced from PubChem (CID 17225153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).