N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide

C20H29F3N2O3S — CID 47088463

IUPACN-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCCN(CCC(F)(F)F)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C20H29F3N2O3S/c1-5-24(11-8-20(21,22)23)19(26)17-12-15(3)16(4)18(13-17)29(27,28)25-9-6-14(2)7-10-25/h12-14H,5-11H2,1-4H3
InChIKeyCAMCHVHJEYWBCC-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.14
Rot. Bonds6

About N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide

N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 47088463) has the molecular formula C20H29F3N2O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID47088463
Molecular FormulaC20H29F3N2O3S
Molecular Weight434.52 g/mol
Exact Mass434.19
IUPAC NameN-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCCN(CCC(F)(F)F)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C20H29F3N2O3S/c1-5-24(11-8-20(21,22)23)19(26)17-12-15(3)16(4)18(13-17)29(27,28)25-9-6-14(2)7-10-25/h12-14H,5-11H2,1-4H3
InChIKeyCAMCHVHJEYWBCC-UHFFFAOYSA-N
XLogP4.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide (CID 47088463) is N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide is CCN(CCC(F)(F)F)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is CAMCHVHJEYWBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O3S/c1-5-24(11-8-20(21,22)23)19(26)17-12-15(3)16(4)18(13-17)29(27,28)25-9-6-14(2)7-10-25/h12-14H,5-11H2,1-4H3.
What are the key properties of N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide?
N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 434.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 47088463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).