N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C24H31F2N3O3S — CID 52665329

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)c1
InChIInChI=1S/C24H31F2N3O3S/c1-16-12-17(2)24(18(3)13-16)33(31,32)27-9-6-23(30)28-20-7-10-29(11-8-20)15-19-4-5-21(25)22(26)14-19/h4-5,12-14,20,27H,6-11,15H2,1-3H3,(H,28,30)
InChIKeyGIWNVFINIZPLMC-UHFFFAOYSA-N
MW479.59 g/mol
LogP3.34
Rot. Bonds8

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 52665329) has the molecular formula C24H31F2N3O3S and a molecular weight of 479.59 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID52665329
Molecular FormulaC24H31F2N3O3S
Molecular Weight479.59 g/mol
Exact Mass479.21
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)c1
InChIInChI=1S/C24H31F2N3O3S/c1-16-12-17(2)24(18(3)13-16)33(31,32)27-9-6-23(30)28-20-7-10-29(11-8-20)15-19-4-5-21(25)22(26)14-19/h4-5,12-14,20,27H,6-11,15H2,1-3H3,(H,28,30)
InChIKeyGIWNVFINIZPLMC-UHFFFAOYSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119475722
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55950566
4-bromo-N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 60550207
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 60534426
N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55836827
3-[(4-bromophenyl)sulfonylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960822
3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55949551
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55950818
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 52665329) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)c1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is GIWNVFINIZPLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O3S/c1-16-12-17(2)24(18(3)13-16)33(31,32)27-9-6-23(30)28-20-7-10-29(11-8-20)15-19-4-5-21(25)22(26)14-19/h4-5,12-14,20,27H,6-11,15H2,1-3H3,(H,28,30).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 479.59 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 52665329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).