2-(3-anilinopropylsulfonyl)acetamide

C11H16N2O3S — CID 114231941

IUPAC2-(3-anilinopropylsulfonyl)acetamide
SMILESNC(=O)CS(=O)(=O)CCCNc1ccccc1
InChIInChI=1S/C11H16N2O3S/c12-11(14)9-17(15,16)8-4-7-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H2,12,14)
InChIKeyJNCHXXCJODXSTL-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.39
Rot. Bonds7

About 2-(3-anilinopropylsulfonyl)acetamide

2-(3-anilinopropylsulfonyl)acetamide (PubChem CID 114231941) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(3-anilinopropylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(3-anilinopropylsulfonyl)acetamide
PubChem CID114231941
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(3-anilinopropylsulfonyl)acetamide
SMILESNC(=O)CS(=O)(=O)CCCNc1ccccc1
InChIInChI=1S/C11H16N2O3S/c12-11(14)9-17(15,16)8-4-7-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H2,12,14)
InChIKeyJNCHXXCJODXSTL-UHFFFAOYSA-N
XLogP0.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-anilinopropylsulfonyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-anilinobutanamide
CID 67066705
N-(3-pentylsulfonylpropyl)aniline
CID 107757198
5-anilinopentanoic acid
CID 28972030
5-anilinopentane-1-sulfonyl chloride
CID 88814944
2-[3-(4-aminoanilino)propylsulfonyl]ethanol
CID 18927034
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
3-[3-(2-chloroethylsulfonyl)propylamino]benzoic acid
CID 54086500
N-(3-trihydroxysilylpropyl)aniline
CID 140901816
4-(3-phenoxypropylamino)benzamide
CID 60678988
3-anilinopropan-1-ol;phosphoric acid
CID 66984453
4-N-(3-butylsulfonylpropyl)benzene-1,4-diamine
CID 58586711
2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide
CID 55687459

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilinopropylsulfonyl)acetamide?
The IUPAC name of 2-(3-anilinopropylsulfonyl)acetamide (CID 114231941) is 2-(3-anilinopropylsulfonyl)acetamide.
What is the SMILES notation for 2-(3-anilinopropylsulfonyl)acetamide?
The canonical SMILES for 2-(3-anilinopropylsulfonyl)acetamide is NC(=O)CS(=O)(=O)CCCNc1ccccc1.
What is the InChIKey of 2-(3-anilinopropylsulfonyl)acetamide?
The InChIKey is JNCHXXCJODXSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-11(14)9-17(15,16)8-4-7-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H2,12,14).
What are the key properties of 2-(3-anilinopropylsulfonyl)acetamide?
2-(3-anilinopropylsulfonyl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilinopropylsulfonyl)acetamide is sourced from PubChem (CID 114231941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).