5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide

C25H34N4O4S — CID 142896247

IUPAC5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide
SMILESC[C@@H](NC(=O)c1cc(C(=O)NCC[C@H]2CCCCN2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C25H34N4O4S/c1-18(19-9-5-4-6-10-19)28-25(31)21-15-20(16-23(17-21)29(2)34(3,32)33)24(30)27-14-12-22-11-7-8-13-26-22/h4-6,9-10,15-18,22,26H,7-8,11-14H2,1-3H3,(H,27,30)(H,28,31)/t18-,22-/m1/s1
InChIKeyDHSSNIAGFDSLLN-XMSQKQJNSA-N
MW486.64 g/mol
LogP2.84
Rot. Bonds9

About 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide

5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide (PubChem CID 142896247) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide
PubChem CID142896247
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide
SMILESC[C@@H](NC(=O)c1cc(C(=O)NCC[C@H]2CCCCN2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C25H34N4O4S/c1-18(19-9-5-4-6-10-19)28-25(31)21-15-20(16-23(17-21)29(2)34(3,32)33)24(30)27-14-12-22-11-7-8-13-26-22/h4-6,9-10,15-18,22,26H,7-8,11-14H2,1-3H3,(H,27,30)(H,28,31)/t18-,22-/m1/s1
InChIKeyDHSSNIAGFDSLLN-XMSQKQJNSA-N
XLogP2.84
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide 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

3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 10099990
1-N-[(2R)-2-hydroxy-2-pyrrolidin-2-ylethyl]-5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide;toluene
CID 142896286
(2S)-2-[[(2S)-2-[[3-[methyl(methylsulfonyl)amino]-5-[[(1R)-1-phenylethyl]carbamoyl]benzoyl]amino]-3-phenylpropyl]amino]propanoic acid
CID 59361290
3-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1S)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 59569833
3-N-[(1R,2S)-1-hydroxy-3-phenyl-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1S)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 46206496
1-N-[2-hydroxy-2-(hydroxymethyl)-3-phenylmethoxypropyl]-5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 44557198
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
3-N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 75152899
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-[5-[(2S,3S)-3-phenylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 24985084
1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(1R,2S)-1-hydroxy-1-[(2R,5S)-5-methylpyrrolidin-2-yl]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
CID 58699979
(2-amino-3-phenylpropyl) 3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]-5-[methyl(methylsulfonyl)amino]benzoate
CID 11466674
3-N-[(2S)-1-[[3-hydroxy-1-(2-methylpropylamino)-1-oxobutan-2-yl]amino]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 46218713

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide (CID 142896247) is 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide is C[C@@H](NC(=O)c1cc(C(=O)NCC[C@H]2CCCCN2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide?
The InChIKey is DHSSNIAGFDSLLN-XMSQKQJNSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-18(19-9-5-4-6-10-19)28-25(31)21-15-20(16-23(17-21)29(2)34(3,32)33)24(30)27-14-12-22-11-7-8-13-26-22/h4-6,9-10,15-18,22,26H,7-8,11-14H2,1-3H3,(H,27,30)(H,28,31)/t18-,22-/m1/s1.
What are the key properties of 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide?
5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide has a molecular weight of 486.64 g/mol, XLogP of 2.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]-1-N-[2-[(2R)-piperidin-2-yl]ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 142896247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).