N-ethyl-N-(4-propylsulfonylphenyl)acetamide

C13H19NO3S — CID 110172517

IUPACN-ethyl-N-(4-propylsulfonylphenyl)acetamide
SMILESCCCS(=O)(=O)c1ccc(N(CC)C(C)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-4-10-18(16,17)13-8-6-12(7-9-13)14(5-2)11(3)15/h6-9H,4-5,10H2,1-3H3
InChIKeyKRJSHXZVCPZEAW-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.24
Rot. Bonds5

About N-ethyl-N-(4-propylsulfonylphenyl)acetamide

N-ethyl-N-(4-propylsulfonylphenyl)acetamide (PubChem CID 110172517) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-ethyl-N-(4-propylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-propylsulfonylphenyl)acetamide
PubChem CID110172517
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-ethyl-N-(4-propylsulfonylphenyl)acetamide
SMILESCCCS(=O)(=O)c1ccc(N(CC)C(C)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-4-10-18(16,17)13-8-6-12(7-9-13)14(5-2)11(3)15/h6-9H,4-5,10H2,1-3H3
InChIKeyKRJSHXZVCPZEAW-UHFFFAOYSA-N
XLogP2.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
4-propylsulfonylbenzenesulfonic acid
CID 163962227
ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate
CID 62006448
N,N-diethylethanamine;1-methyl-4-propylsulfonylbenzene
CID 90732645
[4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid
CID 57376199
2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
CID 61147145
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
N-(1-chloropropan-2-yl)-N-methyl-4-propylsulfonylaniline
CID 113426413
3-(N-cyclopropyl-4-propylsulfonylanilino)propanoic acid
CID 60829331
1-N-methyl-1-N-(4-propylsulfonylphenyl)propane-1,2-diamine
CID 63759949
3-(4-propylsulfonylphenyl)propanoic acid
CID 43140837
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-propylsulfonylphenyl)acetamide?
The IUPAC name of N-ethyl-N-(4-propylsulfonylphenyl)acetamide (CID 110172517) is N-ethyl-N-(4-propylsulfonylphenyl)acetamide.
What is the SMILES notation for N-ethyl-N-(4-propylsulfonylphenyl)acetamide?
The canonical SMILES for N-ethyl-N-(4-propylsulfonylphenyl)acetamide is CCCS(=O)(=O)c1ccc(N(CC)C(C)=O)cc1.
What is the InChIKey of N-ethyl-N-(4-propylsulfonylphenyl)acetamide?
The InChIKey is KRJSHXZVCPZEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-10-18(16,17)13-8-6-12(7-9-13)14(5-2)11(3)15/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-N-(4-propylsulfonylphenyl)acetamide?
N-ethyl-N-(4-propylsulfonylphenyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-propylsulfonylphenyl)acetamide is sourced from PubChem (CID 110172517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).