N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide

C21H28N2O3S — CID 43067489

IUPACN-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(S(C)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)19(15-17-9-7-6-8-10-17)16-22-21(24)18-11-13-20(14-12-18)27(3,25)26/h6-14,19H,4-5,15-16H2,1-3H3,(H,22,24)
InChIKeyGVUSRIJEHZBAFN-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.77
Rot. Bonds9

About N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide

N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide (PubChem CID 43067489) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
PubChem CID43067489
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(S(C)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-4-23(5-2)19(15-17-9-7-6-8-10-17)16-22-21(24)18-11-13-20(14-12-18)27(3,25)26/h6-14,19H,4-5,15-16H2,1-3H3,(H,22,24)
InChIKeyGVUSRIJEHZBAFN-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-3-phenylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43067642
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30885727
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
(2S)-2-[(4-methylsulfonylbenzoyl)amino]-3-phenylpropanoic acid
CID 9267690
2-[[(4-methylsulfonylbenzoyl)amino]methyl]pentanoic acid
CID 65223109
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8794925
3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide
CID 43067611
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 27032355
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 41378820
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide (CID 43067489) is N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide is CCN(CC)C(CNC(=O)c1ccc(S(C)(=O)=O)cc1)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide?
The InChIKey is GVUSRIJEHZBAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-23(5-2)19(15-17-9-7-6-8-10-17)16-22-21(24)18-11-13-20(14-12-18)27(3,25)26/h6-14,19H,4-5,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide?
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide has a molecular weight of 388.53 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 43067489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).