N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C22H24F3N3O5S — CID 55949978

IUPACN-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H24F3N3O5S/c23-22(24,25)33-18-7-9-19(10-8-18)34(31,32)26-12-11-20(29)27-17-6-4-5-16(15-17)21(30)28-13-2-1-3-14-28/h4-10,15,26H,1-3,11-14H2,(H,27,29)
InChIKeyYKOFLZCAPYXFMT-UHFFFAOYSA-N
MW499.51 g/mol
LogP3.52
Rot. Bonds8

About N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 55949978) has the molecular formula C22H24F3N3O5S and a molecular weight of 499.51 g/mol. Its IUPAC name is N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID55949978
Molecular FormulaC22H24F3N3O5S
Molecular Weight499.51 g/mol
Exact Mass499.14
IUPAC NameN-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H24F3N3O5S/c23-22(24,25)33-18-7-9-19(10-8-18)34(31,32)26-12-11-20(29)27-17-6-4-5-16(15-17)21(30)28-13-2-1-3-14-28/h4-10,15,26H,1-3,11-14H2,(H,27,29)
InChIKeyYKOFLZCAPYXFMT-UHFFFAOYSA-N
XLogP3.52
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24538040
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 17192578
2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide
CID 55641818
N-[3-(azepane-1-carbonyl)phenyl]-4-chlorobutanamide
CID 26159666
3-(2-fluorophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide
CID 55862325
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26560503
3-[(4-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55722130
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 55949978) is N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is YKOFLZCAPYXFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O5S/c23-22(24,25)33-18-7-9-19(10-8-18)34(31,32)26-12-11-20(29)27-17-6-4-5-16(15-17)21(30)28-13-2-1-3-14-28/h4-10,15,26H,1-3,11-14H2,(H,27,29).
What are the key properties of N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 499.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55949978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).