3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C31H32Cl2F3N3O4S — CID 68927786

IUPAC3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1)NC1CCOc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C31H32Cl2F3N3O4S/c32-23-14-21(15-24(33)17-23)28(38-44(41,42)25-6-4-5-22(16-25)31(34,35)36)18-30(40)37-27-9-12-43-29-13-20(7-8-26(27)29)19-39-10-2-1-3-11-39/h4-8,13-17,27-28,38H,1-3,9-12,18-19H2,(H,37,40)
InChIKeyLPFUWEUNOZCPAA-UHFFFAOYSA-N
MW670.58 g/mol
LogP7.05
Rot. Bonds9

About 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 68927786) has the molecular formula C31H32Cl2F3N3O4S and a molecular weight of 670.58 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID68927786
Molecular FormulaC31H32Cl2F3N3O4S
Molecular Weight670.58 g/mol
Exact Mass669.14
IUPAC Name3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1)NC1CCOc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C31H32Cl2F3N3O4S/c32-23-14-21(15-24(33)17-23)28(38-44(41,42)25-6-4-5-22(16-25)31(34,35)36)18-30(40)37-27-9-12-43-29-13-20(7-8-26(27)29)19-39-10-2-1-3-11-39/h4-8,13-17,27-28,38H,1-3,9-12,18-19H2,(H,37,40)
InChIKeyLPFUWEUNOZCPAA-UHFFFAOYSA-N
XLogP7.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.58
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]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

(3R)-3-phenyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 11284846
3-(3-fluorophenyl)-3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68927003
N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 68931029
3-(naphthalen-2-ylsulfonylamino)-3-(3-phenoxyphenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68928838
3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide
CID 68932666
(3R)-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 11635676
CID 87738171
CID 87738171
N-[6-(2,5-dihydropyrrol-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-phenyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 68932209
3-cyclopenta[c]pyran-7-yl-3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68934519
(3R)-3-(3-fluorophenyl)-N-[(4R)-7-[(2-methoxyethylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 59792108
(3S)-3-[(2,5-dichlorophenyl)sulfonyl-methylamino]-4,4,4-trifluoro-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]butanamide
CID 154205634
(3R)-N-[7-(2-aminoethyl)-3,4-dihydro-2H-chromen-4-yl]-3-cyclohexa-1,3,4,5-tetraen-1-yl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 162580156

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 68927786) is 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is O=C(CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1)NC1CCOc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is LPFUWEUNOZCPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl2F3N3O4S/c32-23-14-21(15-24(33)17-23)28(38-44(41,42)25-6-4-5-22(16-25)31(34,35)36)18-30(40)37-27-9-12-43-29-13-20(7-8-26(27)29)19-39-10-2-1-3-11-39/h4-8,13-17,27-28,38H,1-3,9-12,18-19H2,(H,37,40).
What are the key properties of 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 670.58 g/mol, XLogP of 7.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 68927786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).