2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide

C15H25N3O4S — CID 120983914

IUPAC2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(N)COC)cc1
InChIInChI=1S/C15H25N3O4S/c1-4-18(5-2)23(20,21)13-8-6-12(7-9-13)10-17-15(19)14(16)11-22-3/h6-9,14H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyIZBAARUNORELSQ-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.31
Rot. Bonds9

About 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide

2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide (PubChem CID 120983914) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide
PubChem CID120983914
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(N)COC)cc1
InChIInChI=1S/C15H25N3O4S/c1-4-18(5-2)23(20,21)13-8-6-12(7-9-13)10-17-15(19)14(16)11-22-3/h6-9,14H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyIZBAARUNORELSQ-UHFFFAOYSA-N
XLogP0.31
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
(R)-2-Amino-N-benzyl-3-methoxypropionamide
CID 10104501
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
N-(4-Sulfamoylbenzyl)Pivalamide
CID 4447263
2-Ethyl-N-(4-sulfamoylbenzyl)butyramide
CID 4656684
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 798105
N~1~-cycloheptyl-N~2~-[(4-methylphenyl)sulfonyl]alaninamide
CID 2948474
N~1~-(3-ethoxypropyl)-N~2~-[(4-methylphenyl)sulfonyl]alaninamide
CID 2954872
2-(Benzenesulfonyl-benzyl-amino)-N-(3-methoxy-propyl)-acetamide
CID 3114017
N-cyclopentyl-2-(4-methylbenzenesulfonamido)acetamide
CID 3242550
N-(3-methoxypropyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 3772133
N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide
CID 4834138

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide (CID 120983914) is 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(N)COC)cc1.
What is the InChIKey of 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide?
The InChIKey is IZBAARUNORELSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-4-18(5-2)23(20,21)13-8-6-12(7-9-13)10-17-15(19)14(16)11-22-3/h6-9,14H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide?
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide has a molecular weight of 343.45 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 120983914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).