N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide

C19H33N3O4S — CID 7618202

IUPACN-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
SMILESCCN(CC)CCC[C@@H](C)NS(=O)(=O)CCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H33N3O4S/c1-5-22(6-2)14-7-8-16(3)21-27(24,25)15-13-20-19(23)17-9-11-18(26-4)12-10-17/h9-12,16,21H,5-8,13-15H2,1-4H3,(H,20,23)/t16-/m1/s1
InChIKeyYZYTUYBKIPQBAS-MRXNPFEDSA-N
MW399.56 g/mol
LogP1.85
Rot. Bonds13

About N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide

N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide (PubChem CID 7618202) has the molecular formula C19H33N3O4S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
PubChem CID7618202
Molecular FormulaC19H33N3O4S
Molecular Weight399.56 g/mol
Exact Mass399.22
IUPAC NameN-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
SMILESCCN(CC)CCC[C@@H](C)NS(=O)(=O)CCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H33N3O4S/c1-5-22(6-2)14-7-8-16(3)21-27(24,25)15-13-20-19(23)17-9-11-18(26-4)12-10-17/h9-12,16,21H,5-8,13-15H2,1-4H3,(H,20,23)/t16-/m1/s1
InChIKeyYZYTUYBKIPQBAS-MRXNPFEDSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
CID 7600988
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618197
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]benzamide
CID 7600981
N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618375
N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 3667573
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
CID 43654049
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide (CID 7618202) is N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide is CCN(CC)CCC[C@@H](C)NS(=O)(=O)CCNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide?
The InChIKey is YZYTUYBKIPQBAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H33N3O4S/c1-5-22(6-2)14-7-8-16(3)21-27(24,25)15-13-20-19(23)17-9-11-18(26-4)12-10-17/h9-12,16,21H,5-8,13-15H2,1-4H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide?
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide has a molecular weight of 399.56 g/mol, XLogP of 1.85, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 7618202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).