4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide

C26H35FN4O5S — CID 176733551

IUPAC4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide
SMILESCN1CCC(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)CO)cc2)CC1
InChIInChI=1S/C26H35FN4O5S/c1-26(2,17-32)30-37(35,36)22-10-8-21(9-11-22)28-25(34)23(16-18-12-14-31(3)15-13-18)29-24(33)19-4-6-20(27)7-5-19/h4-11,18,23,30,32H,12-17H2,1-3H3,(H,28,34)(H,29,33)/t23-/m0/s1
InChIKeyMRXCRZFLJHWJQG-QHCPKHFHSA-N
MW534.65 g/mol
LogP2.34
Rot. Bonds10

About 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide

4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 176733551) has the molecular formula C26H35FN4O5S and a molecular weight of 534.65 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide
PubChem CID176733551
Molecular FormulaC26H35FN4O5S
Molecular Weight534.65 g/mol
Exact Mass534.23
IUPAC Name4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide
SMILESCN1CCC(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)CO)cc2)CC1
InChIInChI=1S/C26H35FN4O5S/c1-26(2,17-32)30-37(35,36)22-10-8-21(9-11-22)28-25(34)23(16-18-12-14-31(3)15-13-18)29-24(33)19-4-6-20(27)7-5-19/h4-11,18,23,30,32H,12-17H2,1-3H3,(H,28,34)(H,29,33)/t23-/m0/s1
InChIKeyMRXCRZFLJHWJQG-QHCPKHFHSA-N
XLogP2.34
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.65
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide 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

CID 89663273
CID 89663273
CID 5288596
CID 5288596
CID 11743533
CID 11743533
CID 142474792
CID 142474792
CID 508704
CID 508704
CID 513429
CID 513429
CID 513430
CID 513430
CID 513431
CID 513431
CID 156160306
CID 156160306
CID 9830006
CID 9830006
CID 6457724
CID 6457724
CID 10595685
CID 10595685

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide (CID 176733551) is 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide is CN1CCC(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)CO)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide?
The InChIKey is MRXCRZFLJHWJQG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H35FN4O5S/c1-26(2,17-32)30-37(35,36)22-10-8-21(9-11-22)28-25(34)23(16-18-12-14-31(3)15-13-18)29-24(33)19-4-6-20(27)7-5-19/h4-11,18,23,30,32H,12-17H2,1-3H3,(H,28,34)(H,29,33)/t23-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide?
4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 534.65 g/mol, XLogP of 2.34, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]anilino]-3-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 176733551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).