4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide

C18H23N3O3S — CID 120653123

IUPAC4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-19-14(2)13-20-18(22)15-9-11-16(12-10-15)21-25(23,24)17-7-5-4-6-8-17/h4-12,14,19,21H,3,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyVJMUZDGROPEUNP-CQSZACIVSA-N
MW361.47 g/mol
LogP2.22
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide

4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide (PubChem CID 120653123) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
PubChem CID120653123
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-19-14(2)13-20-18(22)15-9-11-16(12-10-15)21-25(23,24)17-7-5-4-6-8-17/h4-12,14,19,21H,3,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyVJMUZDGROPEUNP-CQSZACIVSA-N
XLogP2.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 120651903
4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120650528
4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650129
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 120653889
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 120655257
N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120653498
4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide (CID 120653123) is 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide is CCN[C@H](C)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide?
The InChIKey is VJMUZDGROPEUNP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-19-14(2)13-20-18(22)15-9-11-16(12-10-15)21-25(23,24)17-7-5-4-6-8-17/h4-12,14,19,21H,3,13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide?
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide is sourced from PubChem (CID 120653123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).