N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide

C16H24N2O4S — CID 113070961

IUPACN-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(c1cccc(C(C)=O)c1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-4-5-9-16(20)17-10-11-18(23(3,21)22)15-8-6-7-14(12-15)13(2)19/h6-8,12H,4-5,9-11H2,1-3H3,(H,17,20)
InChIKeyPPTQYCHFXKZAFX-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.96
Rot. Bonds9

About N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide

N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide (PubChem CID 113070961) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide
PubChem CID113070961
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(c1cccc(C(C)=O)c1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-4-5-9-16(20)17-10-11-18(23(3,21)22)15-8-6-7-14(12-15)13(2)19/h6-8,12H,4-5,9-11H2,1-3H3,(H,17,20)
InChIKeyPPTQYCHFXKZAFX-UHFFFAOYSA-N
XLogP1.96
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide 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

N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide
CID 113071066
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113070993
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
3-(3-acetyl-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113145310
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113145353
3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113145358
3-(3-bromo-N-methylsulfonylanilino)-N-propylpropanamide
CID 113146042
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070078
N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide
CID 113072460

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide?
The IUPAC name of N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide (CID 113070961) is N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide.
What is the SMILES notation for N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide?
The canonical SMILES for N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide is CCCCC(=O)NCCN(c1cccc(C(C)=O)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide?
The InChIKey is PPTQYCHFXKZAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-5-9-16(20)17-10-11-18(23(3,21)22)15-8-6-7-14(12-15)13(2)19/h6-8,12H,4-5,9-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide?
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide has a molecular weight of 340.45 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide is sourced from PubChem (CID 113070961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).