N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

C22H28N2O4S — CID 1007008

IUPACN-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17(19-6-3-2-4-7-19)24-29(26,27)21-12-9-18(10-13-21)11-14-22(25)23-16-20-8-5-15-28-20/h2-4,6-7,9-10,12-13,17,20,24H,5,8,11,14-16H2,1H3,(H,23,25)/t17-,20-/m1/s1
InChIKeyAOGFQRVDLMJUIC-YLJYHZDGSA-N
MW416.54 g/mol
LogP2.95
Rot. Bonds9

About N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 1007008) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID1007008
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17(19-6-3-2-4-7-19)24-29(26,27)21-12-9-18(10-13-21)11-14-22(25)23-16-20-8-5-15-28-20/h2-4,6-7,9-10,12-13,17,20,24H,5,8,11,14-16H2,1H3,(H,23,25)/t17-,20-/m1/s1
InChIKeyAOGFQRVDLMJUIC-YLJYHZDGSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 18552568
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 23722959
N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 4543169
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28556838
3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28556831
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 1007008) is N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is AOGFQRVDLMJUIC-YLJYHZDGSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17(19-6-3-2-4-7-19)24-29(26,27)21-12-9-18(10-13-21)11-14-22(25)23-16-20-8-5-15-28-20/h2-4,6-7,9-10,12-13,17,20,24H,5,8,11,14-16H2,1H3,(H,23,25)/t17-,20-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 416.54 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 1007008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).