N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide

C32H26F3NO6S2 — CID 159662840

IUPACN-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide
SMILESCC(=O)CS(=O)(=O)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)S(=O)(=O)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C32H26F3NO6S2/c1-22(37)21-43(38,39)28-9-4-8-26(18-28)24-14-12-23(13-15-24)19-36(20-27-16-17-31(42-27)32(33,34)35)44(40,41)30-11-5-7-25-6-2-3-10-29(25)30/h2-18H,19-21H2,1H3
InChIKeyALZNPFITJXAYCX-UHFFFAOYSA-N
MW641.69 g/mol
LogP6.87
Rot. Bonds10

About N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide

N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide (PubChem CID 159662840) has the molecular formula C32H26F3NO6S2 and a molecular weight of 641.69 g/mol. Its IUPAC name is N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide
PubChem CID159662840
Molecular FormulaC32H26F3NO6S2
Molecular Weight641.69 g/mol
Exact Mass641.12
IUPAC NameN-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide
SMILESCC(=O)CS(=O)(=O)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)S(=O)(=O)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C32H26F3NO6S2/c1-22(37)21-43(38,39)28-9-4-8-26(18-28)24-14-12-23(13-15-24)19-36(20-27-16-17-31(42-27)32(33,34)35)44(40,41)30-11-5-7-25-6-2-3-10-29(25)30/h2-18H,19-21H2,1H3
InChIKeyALZNPFITJXAYCX-UHFFFAOYSA-N
XLogP6.87
TPSA101.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.69
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide 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

N'-amino-N-imino-2-[3-[4-[[(2-methylnaphthalen-1-yl)sulfonyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]sulfonylethanimidamide
CID 172973340
N-[[5-(difluoromethyl)furan-2-yl]methyl]-2,4,6-trimethyl-N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]benzenesulfonamide
CID 160935318
N-[[4-[3-(3-hydroxybut-3-enylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
CID 160552828
2-[3-[4-[[(2-methoxynaphthalen-1-yl)sulfonyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]-2-methylpropanoic acid
CID 142450993
methyl 2-[3-[4-[[(2-methylpropan-2-yl)oxycarbonyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]sulfonylacetate
CID 146503379
2-[3-[4-[[(2,4-dimethylnaphthalen-1-yl)sulfonyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]-2-methylpropanoic acid
CID 142450867
methyl 2-[3-[4-[[[(E)-ethylidene-(2-methylnaphthalen-1-yl)-λ4-sulfanyl]-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]sulfonylacetate
CID 152903768
N-[[4-[3-fluoro-4-(hydroxymethyl)-5-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
CID 161487646
2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
CID 146472006
2-[3-[4-[[(2-ethylnaphthalen-1-yl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]amino]methyl]phenyl]phenyl]-2-methylpropanoic acid
CID 146553349
3-[5-[[[4-[3-(carboxymethylsulfonyl)phenyl]phenyl]methyl-(4-fluoro-2,6-dimethylphenyl)sulfonylamino]methyl]-2-(trifluoromethyl)furan-3-yl]-2-[3-[3-methoxy-4-[[[5-(trifluoromethyl)furan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]phenyl]-2-methylpropanoic acid
CID 146498833
N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide
CID 154647143

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide (CID 159662840) is N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide is CC(=O)CS(=O)(=O)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)S(=O)(=O)c3cccc4ccccc34)cc2)c1.
What is the InChIKey of N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide?
The InChIKey is ALZNPFITJXAYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3NO6S2/c1-22(37)21-43(38,39)28-9-4-8-26(18-28)24-14-12-23(13-15-24)19-36(20-27-16-17-31(42-27)32(33,34)35)44(40,41)30-11-5-7-25-6-2-3-10-29(25)30/h2-18H,19-21H2,1H3.
What are the key properties of N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide?
N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide has a molecular weight of 641.69 g/mol, XLogP of 6.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(2-oxopropylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 159662840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).