3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide

C19H26N4O3S — CID 119949036

IUPAC3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H26N4O3S/c1-22(2)18-11-10-15(27(25,26)23(3)4)12-17(18)21-19(24)13-16(20)14-8-6-5-7-9-14/h5-12,16H,13,20H2,1-4H3,(H,21,24)
InChIKeyIWCMSZOFASZLEE-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.03
Rot. Bonds7

About 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide

3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide (PubChem CID 119949036) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide
PubChem CID119949036
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H26N4O3S/c1-22(2)18-11-10-15(27(25,26)23(3)4)12-17(18)21-19(24)13-16(20)14-8-6-5-7-9-14/h5-12,16H,13,20H2,1-4H3,(H,21,24)
InChIKeyIWCMSZOFASZLEE-UHFFFAOYSA-N
XLogP2.03
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride
CID 119950083
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 39975511
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
2-(4-bromophenyl)sulfanyl-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]acetamide
CID 25343529
3-[[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122074836
methyl 3-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanylpropanoate
CID 9344465
ethyl 2-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanylacetate
CID 9286924
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33080098
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylethylamino)acetamide
CID 42913358
N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide
CID 25353442

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide (CID 119949036) is 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide is CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide?
The InChIKey is IWCMSZOFASZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-22(2)18-11-10-15(27(25,26)23(3)4)12-17(18)21-19(24)13-16(20)14-8-6-5-7-9-14/h5-12,16H,13,20H2,1-4H3,(H,21,24).
What are the key properties of 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide?
3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide has a molecular weight of 390.51 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119949036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).