2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide

C18H29N3O4S — CID 120789988

IUPAC2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-18(2,3)21-26(23,24)12-13-5-4-6-15(11-13)20-17(22)16(19)14-7-9-25-10-8-14/h4-6,11,14,16,21H,7-10,12,19H2,1-3H3,(H,20,22)
InChIKeyYPZMPJITEXXJSI-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.60
Rot. Bonds6

About 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120789988) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide
PubChem CID120789988
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-18(2,3)21-26(23,24)12-13-5-4-6-15(11-13)20-17(22)16(19)14-7-9-25-10-8-14/h4-6,11,14,16,21H,7-10,12,19H2,1-3H3,(H,20,22)
InChIKeyYPZMPJITEXXJSI-UHFFFAOYSA-N
XLogP1.60
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide (CID 120789988) is 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide is CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(N)C2CCOCC2)c1.
What is the InChIKey of 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is YPZMPJITEXXJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-18(2,3)21-26(23,24)12-13-5-4-6-15(11-13)20-17(22)16(19)14-7-9-25-10-8-14/h4-6,11,14,16,21H,7-10,12,19H2,1-3H3,(H,20,22).
What are the key properties of 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 383.51 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120789988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).