N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide

C34H35FN4O4S — CID 98197727

IUPACN-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C34H35FN4O4S/c35-29-14-6-7-16-31(29)38-19-21-39(22-20-38)32-18-17-26(36-34(40)24-43-27-11-2-1-3-12-27)23-33(32)44(41,42)37-30-15-8-10-25-9-4-5-13-28(25)30/h1-7,9,11-14,16-18,23,30,37H,8,10,15,19-22,24H2,(H,36,40)/t30-/m1/s1
InChIKeyRKXQEGOYIJKYJW-SSEXGKCCSA-N
MW614.74 g/mol
LogP5.53
Rot. Bonds9

About N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide

N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide (PubChem CID 98197727) has the molecular formula C34H35FN4O4S and a molecular weight of 614.74 g/mol. Its IUPAC name is N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide
PubChem CID98197727
Molecular FormulaC34H35FN4O4S
Molecular Weight614.74 g/mol
Exact Mass614.24
IUPAC NameN-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C34H35FN4O4S/c35-29-14-6-7-16-31(29)38-19-21-39(22-20-38)32-18-17-26(36-34(40)24-43-27-11-2-1-3-12-27)23-33(32)44(41,42)37-30-15-8-10-25-9-4-5-13-28(25)30/h1-7,9,11-14,16-18,23,30,37H,8,10,15,19-22,24H2,(H,36,40)/t30-/m1/s1
InChIKeyRKXQEGOYIJKYJW-SSEXGKCCSA-N
XLogP5.53
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.74
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide 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-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-3-phenylpropanamide
CID 98259313
4-chloro-N-[4-pyrrolidin-1-yl-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]butanamide
CID 93018681
N-[4-(4-ethylpiperazin-1-yl)-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 98197865
N-[4-(4-ethylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]hexanamide
CID 93018784
N-[4-(4-ethylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]cyclopropanecarboxamide
CID 93018780
N-[4-(4-ethylpiperazin-1-yl)-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 93018768
3,5-dimethoxy-N-[4-pyrrolidin-1-yl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]benzamide
CID 98423821
N-[4-(4-ethylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-methylpropanamide
CID 93018776
ethyl 1-[4-(cyclohexanecarbonylamino)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]piperidine-4-carboxylate
CID 98410185
ethyl 1-[4-(ethylsulfonylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)phenyl]piperidine-4-carboxylate
CID 46110600
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 42882175

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide (CID 98197727) is N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1.
What is the InChIKey of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide?
The InChIKey is RKXQEGOYIJKYJW-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H35FN4O4S/c35-29-14-6-7-16-31(29)38-19-21-39(22-20-38)32-18-17-26(36-34(40)24-43-27-11-2-1-3-12-27)23-33(32)44(41,42)37-30-15-8-10-25-9-4-5-13-28(25)30/h1-7,9,11-14,16-18,23,30,37H,8,10,15,19-22,24H2,(H,36,40)/t30-/m1/s1.
What are the key properties of N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide?
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide has a molecular weight of 614.74 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 98197727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).