N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

C23H29N3O4S — CID 39952249

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@@H]2CCOc3ccccc32)c1
InChIInChI=1S/C23H29N3O4S/c1-25(2)31(28,29)17-10-11-21(26-13-6-3-7-14-26)19(16-17)23(27)24-20-12-15-30-22-9-5-4-8-18(20)22/h4-5,8-11,16,20H,3,6-7,12-15H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyLVLCFYYNOIYSBR-HXUWFJFHSA-N
MW443.57 g/mol
LogP3.18
Rot. Bonds5

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (PubChem CID 39952249) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
PubChem CID39952249
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@@H]2CCOc3ccccc32)c1
InChIInChI=1S/C23H29N3O4S/c1-25(2)31(28,29)17-10-11-21(26-13-6-3-7-14-26)19(16-17)23(27)24-20-12-15-30-22-9-5-4-8-18(20)22/h4-5,8-11,16,20H,3,6-7,12-15H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyLVLCFYYNOIYSBR-HXUWFJFHSA-N
XLogP3.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide 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

2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 31361844
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide
CID 119427536
5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide
CID 119429055
5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide
CID 112822454
5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
CID 26469062
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 27288409
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
N-(1-adamantyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 25466548
N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 16563524

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (CID 39952249) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@@H]2CCOc3ccccc32)c1.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The InChIKey is LVLCFYYNOIYSBR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-25(2)31(28,29)17-10-11-21(26-13-6-3-7-14-26)19(16-17)23(27)24-20-12-15-30-22-9-5-4-8-18(20)22/h4-5,8-11,16,20H,3,6-7,12-15H2,1-2H3,(H,24,27)/t20-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide has a molecular weight of 443.57 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 39952249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).