N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide

C20H27N3O3S — CID 120655257

IUPACN-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
SMILESCCN[C@H](C)CNC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C20H27N3O3S/c1-4-21-15(2)14-22-20(24)18-11-8-12-19(13-18)27(25,26)23-16(3)17-9-6-5-7-10-17/h5-13,15-16,21,23H,4,14H2,1-3H3,(H,22,24)/t15-,16?/m1/s1
InChIKeyJXKWIENFZFKEHY-AAFJCEBUSA-N
MW389.52 g/mol
LogP2.45
Rot. Bonds9

About N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide

N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide (PubChem CID 120655257) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
PubChem CID120655257
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
SMILESCCN[C@H](C)CNC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C20H27N3O3S/c1-4-21-15(2)14-22-20(24)18-11-8-12-19(13-18)27(25,26)23-16(3)17-9-6-5-7-10-17/h5-13,15-16,21,23H,4,14H2,1-3H3,(H,22,24)/t15-,16?/m1/s1
InChIKeyJXKWIENFZFKEHY-AAFJCEBUSA-N
XLogP2.45
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
N-[(2R)-2-(ethylamino)propyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 120651903
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 78852030
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide (CID 120655257) is N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide is CCN[C@H](C)CNC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide?
The InChIKey is JXKWIENFZFKEHY-AAFJCEBUSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-21-15(2)14-22-20(24)18-11-8-12-19(13-18)27(25,26)23-16(3)17-9-6-5-7-10-17/h5-13,15-16,21,23H,4,14H2,1-3H3,(H,22,24)/t15-,16?/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide?
N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.45, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 120655257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).