2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide

C16H25N3O4S — CID 120787166

IUPAC2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-2-9-18-24(21,22)14-5-3-13(4-6-14)19-16(20)15(17)12-7-10-23-11-8-12/h3-6,12,15,18H,2,7-11,17H2,1H3,(H,19,20)
InChIKeyDMAFBMMKSQKLKQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.07
Rot. Bonds7

About 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide

2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide (PubChem CID 120787166) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
PubChem CID120787166
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C(N)C2CCOCC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-2-9-18-24(21,22)14-5-3-13(4-6-14)19-16(20)15(17)12-7-10-23-11-8-12/h3-6,12,15,18H,2,7-11,17H2,1H3,(H,19,20)
InChIKeyDMAFBMMKSQKLKQ-UHFFFAOYSA-N
XLogP1.07
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(propylsulfamoyl)phenyl]oxane-4-carboxamide
CID 134062227
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796605
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
2-amino-N-[4-(4-ethoxyphenoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120783556
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
CID 120794168
2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(oxan-4-yl)acetamide
CID 120785640
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide (CID 120787166) is 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide is CCCNS(=O)(=O)c1ccc(NC(=O)C(N)C2CCOCC2)cc1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide?
The InChIKey is DMAFBMMKSQKLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-2-9-18-24(21,22)14-5-3-13(4-6-14)19-16(20)15(17)12-7-10-23-11-8-12/h3-6,12,15,18H,2,7-11,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 120787166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).