N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride

C16H29ClN4O3S — CID 119685367

IUPACN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CNC.Cl
InChIInChI=1S/C16H28N4O3S.ClH/c1-5-10-18-14-9-8-13(24(22,23)20(6-2)7-3)11-15(14)19-16(21)12-17-4;/h8-9,11,17-18H,5-7,10,12H2,1-4H3,(H,19,21);1H
InChIKeyFQUJWPJMBMUIAN-UHFFFAOYSA-N
MW392.95 g/mol
LogP2.12
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride

N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119685367) has the molecular formula C16H29ClN4O3S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119685367
Molecular FormulaC16H29ClN4O3S
Molecular Weight392.95 g/mol
Exact Mass392.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CNC.Cl
InChIInChI=1S/C16H28N4O3S.ClH/c1-5-10-18-14-9-8-13(24(22,23)20(6-2)7-3)11-15(14)19-16(21)12-17-4;/h8-9,11,17-18H,5-7,10,12H2,1-4H3,(H,19,21);1H
InChIKeyFQUJWPJMBMUIAN-UHFFFAOYSA-N
XLogP2.12
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 25332105
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119682122
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide
CID 26439552
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide
CID 24580768

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride (CID 119685367) is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride is CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CNC.Cl.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is FQUJWPJMBMUIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S.ClH/c1-5-10-18-14-9-8-13(24(22,23)20(6-2)7-3)11-15(14)19-16(21)12-17-4;/h8-9,11,17-18H,5-7,10,12H2,1-4H3,(H,19,21);1H.
What are the key properties of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride?
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 2.12, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119685367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).