N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide

C16H23F3N2O3S — CID 113145290

IUPACN-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
SMILESCC(C)CCNC(=O)CCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23F3N2O3S/c1-12(2)8-10-20-15(22)9-11-21(25(3,23)24)14-6-4-13(5-7-14)16(17,18)19/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyJYYIADHJNBATFZ-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.02
Rot. Bonds8

About N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide

N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide (PubChem CID 113145290) has the molecular formula C16H23F3N2O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
PubChem CID113145290
Molecular FormulaC16H23F3N2O3S
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC NameN-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
SMILESCC(C)CCNC(=O)CCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23F3N2O3S/c1-12(2)8-10-20-15(22)9-11-21(25(3,23)24)14-6-4-13(5-7-14)16(17,18)19/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyJYYIADHJNBATFZ-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide 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

3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142277
N-(2-methylpropyl)-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145243
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
3-(3-acetamido-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113145483
4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide
CID 133201998
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
methyl 2-[[3-(3-methylbutylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145571

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide (CID 113145290) is N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide is CC(C)CCNC(=O)CCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The InChIKey is JYYIADHJNBATFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3S/c1-12(2)8-10-20-15(22)9-11-21(25(3,23)24)14-6-4-13(5-7-14)16(17,18)19/h4-7,12H,8-11H2,1-3H3,(H,20,22).
What are the key properties of N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide has a molecular weight of 380.43 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 113145290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).