N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide

C19H25N3O3S — CID 3999902

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-21(2)18(15-9-6-5-7-10-15)14-20-19(23)16-11-8-12-17(13-16)26(24,25)22(3)4/h5-13,18H,14H2,1-4H3,(H,20,23)
InChIKeyXFBBMVRCZLPRKM-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide

N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 3999902) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID3999902
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-21(2)18(15-9-6-5-7-10-15)14-20-19(23)16-11-8-12-17(13-16)26(24,25)22(3)4/h5-13,18H,14H2,1-4H3,(H,20,23)
InChIKeyXFBBMVRCZLPRKM-UHFFFAOYSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide (CID 3999902) is N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide is CN(C)C(CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is XFBBMVRCZLPRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-21(2)18(15-9-6-5-7-10-15)14-20-19(23)16-11-8-12-17(13-16)26(24,25)22(3)4/h5-13,18H,14H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 375.49 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 3999902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).